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1-Cyclohexene-1-carboxylic acid, 2-[(3-bromo-1-oxo-2-propenyl)(phenylmethyl)amino]-, ethyl ester, (Z)-
SpectraBase Compound ID 2pQeeOtP1od
InChI InChI=1S/C19H22BrNO3/c1-2-24-19(23)16-10-6-7-11-17(16)21(18(22)12-13-20)14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11,14H2,1H3/b13-12+
InChIKey RLLZXYKNMFXPDM-OUKQBFOZSA-N
Mol Weight 392.29 g/mol
Molecular Formula C19H22BrNO3
Exact Mass 391.078307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbMy7myT2K7
Name 1-Cyclohexene-1-carboxylic acid, 2-[(3-bromo-1-oxo-2-propenyl)(phenylmethyl)amino]-, ethyl ester, (Z)-
CAS Registry Number 124985-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22BrNO3
InChI InChI=1S/C19H22BrNO3/c1-2-24-19(23)16-10-6-7-11-17(16)21(18(22)12-13-20)14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11,14H2,1H3/b13-12+
InChIKey RLLZXYKNMFXPDM-OUKQBFOZSA-N
Molecular Weight 392.293 g/mol
SMILES C1(=C(N(C(\C=C\Br)=O)Cc2ccccc2)CCCC1)C(=O)OCC
SPLASH splash10-0006-9005000000-3e341e8d0b7aa1816a88
Source of Spectrum F-45-3564-4
Synonyms Ethyl 2-{benzyl[(2E)-3-bromo-2-propenoyl]amino}-1-cyclohexene-1-carboxylate N-Benzyl-N-(2-carboethoxycyclohex-1-enyl)-z-3-bromoacrylaminde
Wiley ID 1365301