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Details
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Molecule | 10005931 |
|---|
| Chemical name(s) | PHENOL,2-CHLORO
|
| Chemical formula | C6H5OCl |
| Molecular weight | 128.556 |
| Number of double bond equivalents (DBEs) | 4.0 |
| Number of all rings, size of smallest set of smallest rings | 1, 1 |
| Canonical name(s) |
|
| CAS-Number |
95-57-8
|
| Additional information |
NCI Database;
ChEBI;
Links from Unichem:
|
| Molecule keywords | |
| DOI | 10.18716/nmrshiftdb2/10005931 |
13C Spectrum | 10037909
Rating: 10 |
|---|
| Type | 13C |
|
Measurement conditions
|
| Temperature [K] | Unreported |
| Solvent | Unreported |
| Field Strength [MHz] | Unreported |
| Assignment Method | Unreported |
| Literature |
S. Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
|
| Additional comments | 209.MOL; Multiplicities generated automatically from H count |
| Additional information |
|
| Spectrum categories | |
Type: 13C 150.0   Double click to get resizeable window!
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Atom |
Mult.(coupling const.) |
Meas.
Shift |
| expt-0
dkfz spektren database | expt-1
|
|
1
|
S |
153.502 |
| 151.5 | 151.8 |
|
2
|
S |
120.042 |
| 120.2 | 120.3 |
|
3
|
D |
130.307 |
| 129.2 | 129.3 |
|
4
|
D |
120.445 |
| 121.5 | 121.5 |
|
5
|
D |
128.473 |
| 128.4 | 128.5 |
|
6
|
D |
117.103 |
| 116.5 | 116.3 |
|
Double click upper part to get resizeable window!
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Type: 13C Unreported Double click to get resizeable window!
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|
Atom |
Mult.(coupling const.) |
Meas.
Shift |
Intensity |
| expt-0
| expt-1
Chemikalienlager Uni Mainz |
|
1
|
S |
151.5 |
0.336 |
| 151.8 | 153.502 |
|
2
|
S |
120.2 |
0.084 |
| 120.3 | 120.042 |
|
3
|
D |
129.2 |
0.689 |
| 129.3 | 130.307 |
|
4
|
D |
121.5 |
0.725 |
| 121.5 | 120.445 |
|
5
|
D |
128.4 |
1.0 |
| 128.5 | 128.473 |
|
6
|
D |
116.5 |
0.971 |
| 116.3 | 117.103 |
|
Double click upper part to get resizeable window!
|
Type: 1H Unreported Double click to get resizeable window!
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Atom |
Mult.(coupling const.) |
Meas.
Shift |
|
3-H
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7.287 |
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4-H
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6.853 |
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5-H
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|
7.159 |
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6-H
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|
7.010 |
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7-H
|
|
5.610 |
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