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2-(o-Chlorophenyl)-2-[(benzyloxycarbonyl)methylamino]cyclohexanone
SpectraBase Compound ID DFVn3ytXRpo
InChI InChI=1S/C21H22ClNO3/c1-23(20(25)26-15-16-9-3-2-4-10-16)21(14-8-7-13-19(21)24)17-11-5-6-12-18(17)22/h2-6,9-12H,7-8,13-15H2,1H3
InChIKey CJMQSJSOKFFCRP-UHFFFAOYSA-N
Mol Weight 371.86 g/mol
Molecular Formula C21H22ClNO3
Exact Mass 371.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AgUizYNw9a
Name 2-(o-Chlorophenyl)-2-[(benzyloxycarbonyl)methylamino]cyclohexanone
CAS Registry Number 91003-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO3
InChI InChI=1S/C21H22ClNO3/c1-23(20(25)26-15-16-9-3-2-4-10-16)21(14-8-7-13-19(21)24)17-11-5-6-12-18(17)22/h2-6,9-12H,7-8,13-15H2,1H3
InChIKey CJMQSJSOKFFCRP-UHFFFAOYSA-N
Molecular Weight 371.864 g/mol
SMILES C1(N(C(OCc2ccccc2)=O)C)(c2c(Cl)cccc2)C(=O)CCCC1
SPLASH splash10-052f-9024000000-2934ad7de12c593814fd
Source of Spectrum J-49-3308-0
Synonyms benzyl 1-(2-chlorophenyl)-2-oxocyclohexyl(methyl)carbamate
Wiley ID 1354978