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Details
Spectral Data
Additional Data
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Molecule
60002119
Chemical name(s)
Allylic phthalimide
Chemical formula
C
11
H
9
NO
2
Molecular weight
187.195
Number of double bond equivalents (DBEs)
8.0
Number of all rings, size of smallest set of smallest rings
3, 2
Canonical name(s)
O=C1c2ccccc2C(=O)N1CC=C
(SMILES)
InChI=1S/C11H9NO2/c1-2-7-12-10... (truncated)
(INChI)
MHHGQWMCVNQHLG-UHFFFAOYSA-N (InChI Key)
InChI=1/C11NO2/c1-2-7-12-10(13... (truncated)
(InChI with fixed H layer)
CAS-Number
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DOI
13C Spectrum
60001491 Rating: 10 (10: 10:
nmrshiftdb2 quality check: accept
(admin))
Type
13C
Measurement conditions
Temperature [K]
Unreported
Solvent
Chloroform-D1 (CDCl3)
Field Strength [MHz]
125.0
Assignment Method
Unreported
Literature
Petra Köhling; Axel M. Schmidt; Peter Eilbracht: Tandem Hydroformylation / Fischer Indole Synthesis: A Novel Approach to Indoles, in: Organic Letters , vol. 5/2003, pp. 3213 - 3216.
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