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7-Phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester
SpectraBase Compound ID 72jhRmmvoP6
InChI InChI=1S/C20H21NO2/c22-20(23-16-17-10-4-1-5-11-17)21-15-9-3-8-14-19(21)18-12-6-2-7-13-18/h1-2,4-7,10-14H,3,8-9,15-16H2
InChIKey DAQHTBOJIYWDCS-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54keX18DlFf
Name 7-Phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester
Alternate Name(s) (phenylmethyl) 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate 7-Phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester benzyl 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate
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Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c22-20(23-16-17-10-4-1-5-11-17)21-15-9-3-8-14-19(21)18-12-6-2-7-13-18/h1-2,4-7,10-14H,3,8-9,15-16H2
InChIKey DAQHTBOJIYWDCS-UHFFFAOYSA-N
Molecular Weight 307.393 g/mol
SMILES C=1(N(CCCCC1)C(OCc1ccccc1)=O)c1ccccc1
SPLASH splash10-0006-9301000000-2ebb10074a54019576fb
Source of Spectrum J-66-2465-35
Wiley ID 1534964