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1H-Azepine-2,5-dicarboxylic acid, 2,3-dihydro-1-(phenylmethyl)-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

1H-Azepine-2,5-dicarboxylic acid, 2,3-dihydro-1-(phenylmethyl)-, dimethyl ester
SpectraBase Compound ID 6HDxmxVsAwG
InChI InChI=1S/C17H19NO4/c1-21-16(19)14-8-9-15(17(20)22-2)18(11-10-14)12-13-6-4-3-5-7-13/h3-8,10-11,15H,9,12H2,1-2H3
InChIKey LJTDKWCRTRXWDK-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ag7Z7uo2ybH
Name 1H-Azepine-2,5-dicarboxylic acid, 2,3-dihydro-1-(phenylmethyl)-, dimethyl ester
CAS Registry Number 66124-91-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-21-16(19)14-8-9-15(17(20)22-2)18(11-10-14)12-13-6-4-3-5-7-13/h3-8,10-11,15H,9,12H2,1-2H3
InChIKey LJTDKWCRTRXWDK-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES C1(N(C=CC(=CC1)C(=O)OC)Cc1ccccc1)C(=O)OC
SPLASH splash10-0006-9096000000-e2d2d22044af8ae96324
Source of Spectrum K-116-583-0
Synonyms Dimethyl 1-benzyl-2,3-dihydro-1H-azepine-2,5-dicarboxylate Dimethyl ester of 1-benzyl-2,3-dihydro-1H-azepin-2,5-dicarboxylic acid
Wiley ID 1303867