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General   Chemikalienlager Uni Mainz/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Molecule
10016622
Chemical name(s)1 Butanol; 1-Butanol; Alcohol, Butyl; Alcohol, n-Butyl; Butyl Alcohol; n Butanol; n Butyl Alcohol; n-Butanol; n-Butyl Alcohol
Chemical formulaC4H10O
Molecular weight74.1216
Number of double bond equivalents (DBEs)0.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
CAS-Number 71-36-3
Additional information NCI Database; ChEBI;
Links from Unichem:
Molecule keywords
DOI
13C Spectrum
10038677 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature S. Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments994.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
expt-1
Chemikalienlager Uni Mainz
1 T 61.4 62.962.6778
3 T 35.0
4 T 19.1 36.034.8236
5 Q 13.6 20.318.872





Spectral Data   Additional Data   Download  
Type: 1H 600.0
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
1-H t (6.7) 3.62873 3.626
2-H br s 1.60413 2.24
3-H m 1.53898
4-H m (7.4) 1.37471 1.53
5-H t;t;t 0.92028 1.39





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
ChiuZ;Chemikalienlager Uni Mainz
1-H 3.626 3.62873
2-H 2.240 1.60413
3-H 1.530
4-H 1.390 1.53898
5-H 0.940 1.37471






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