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(3Z,5E,7E)-7-(1-oxobutyl)-1-[(E)-2-phenylethenyl]-2H-azocine-6-carboxylic acid ethyl ester
SpectraBase Compound ID JGyIbtZAtGW
InChI InChI=1S/C22H25NO3/c1-3-10-21(24)20-17-23(16-14-18-11-6-5-7-12-18)15-9-8-13-19(20)22(25)26-4-2/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3/b9-8-,16-14+,19-13+,20-17+
InChIKey AGUMTRVOVVLASQ-GZXJLNPHSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jn87edC7oAJ
Name (3Z,5E,7E)-7-(1-oxobutyl)-1-[(E)-2-phenylethenyl]-2H-azocine-6-carboxylic acid ethyl ester
CAS Registry Number 83253-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-3-10-21(24)20-17-23(16-14-18-11-6-5-7-12-18)15-9-8-13-19(20)22(25)26-4-2/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3/b9-8-,16-14+,19-13+,20-17+
InChIKey AGUMTRVOVVLASQ-GZXJLNPHSA-N
Molecular Weight 351.446 g/mol
SMILES C(\C=1\C(=C/N(C\C=C/C/1)\C=C\c1ccccc1)C(=O)CCC)(=O)OCC
SPLASH splash10-0f89-8692000000-b99d762082101bcf09d8
Source of Spectrum F-38-1587-0
Synonyms (3Z,5E,7E)-7-butyryl-1-[(E)-styryl]-2H-azocine-6-carboxylic acid ethyl ester Ethyl (3Z,5E,7E)-7-butanoyl-1-[(E)-2-phenylethenyl]-2H-azocine-6-carboxylate Ethyl (3Z,5E,7E)-7-butanoyl-1-[(E)-styryl]-2H-azocine-6-carboxylate
Wiley ID 1342724