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3-[2'-(Ethoxycarbonyl)ethenyl]-5-benzylidene-N-cyclohexyl-2-azacyclopentan-1-one
SpectraBase Compound ID LIoWN1owk2O
InChI InChI=1S/C22H27NO3/c1-2-26-21(24)14-13-20-16-18(15-17-9-5-3-6-10-17)22(25)23(20)19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19-20H,2,4,7-8,11-12,16H2,1H3/b14-13+,18-15+
InChIKey YIOVPSNIMLRTPL-UUVOMYAKSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hwUfRMUDNc
Name 3-[2'-(Ethoxycarbonyl)ethenyl]-5-benzylidene-N-cyclohexyl-2-azacyclopentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-2-26-21(24)14-13-20-16-18(15-17-9-5-3-6-10-17)22(25)23(20)19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19-20H,2,4,7-8,11-12,16H2,1H3/b14-13+,18-15+
InChIKey YIOVPSNIMLRTPL-UUVOMYAKSA-N
Molecular Weight 353.462 g/mol
SMILES C1(N(C(\C=C\C(=O)OCC)C\C1=C\c1ccccc1)C1CCCCC1)=O
SPLASH splash10-0kh9-0954000000-370907657137816c1973
Source of Spectrum D1-2001-1244-9
Synonyms Ethyl (2E)-3-[(4E)-4-benzylidene-1-cyclohexyl-5-oxopyrrolidinyl]-2-propenoate
Wiley ID 851163