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Benzenebutanoic acid, .alpha.-[1-(methylamino)ethylidene]-.beta.-oxo-.gamma.-phenyl-, ethyl ester
SpectraBase Compound ID 4K62dNL54fo
InChI InChI=1S/C21H23NO3/c1-4-25-21(24)18(15(2)22-3)20(23)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,19,22H,4H2,1-3H3/b18-15-
InChIKey LXAJVLFNHWGCLP-SDXDJHTJSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoX0NHrAS3o
Name Benzenebutanoic acid, .alpha.-[1-(methylamino)ethylidene]-.beta.-oxo-.gamma.-phenyl-, ethyl ester
CAS Registry Number 128999-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO3
InChI InChI=1S/C21H23NO3/c1-4-25-21(24)18(15(2)22-3)20(23)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,19,22H,4H2,1-3H3/b18-15-
InChIKey LXAJVLFNHWGCLP-SDXDJHTJSA-N
Molecular Weight 337.419 g/mol
SMILES N(\C(=C\(C(C(c1ccccc1)c1ccccc1)=O)C(=O)OCC)C)C
SPLASH splash10-00di-2900000000-6f59df45bfc840a6b3ee
Source of Spectrum J-55-5154-5
Synonyms 3-Methylamino-2-benzylcarbonyl-2-butenoic acid ethyl ester Ethyl (2Z)-2-(diphenylacetyl)-3-(methylamino)-2-butenoate
Wiley ID 1333220