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2-Pentenoic acid, 4-nitro-5-phenyl-4-(phenylmethyl)-, methyl ester, (Z)-
SpectraBase Compound ID 99xWdhYCoz7
InChI InChI=1S/C19H19NO4/c1-24-18(21)12-13-19(20(22)23,14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3/b13-12-
InChIKey BQKIXOUNCGVXQT-SEYXRHQNSA-N
Mol Weight 325.36 g/mol
Molecular Formula C19H19NO4
Exact Mass 325.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHyGnaNjMUa
Name 2-Pentenoic acid, 4-nitro-5-phenyl-4-(phenylmethyl)-, methyl ester, (Z)-
CAS Registry Number 89188-67-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO4
InChI InChI=1S/C19H19NO4/c1-24-18(21)12-13-19(20(22)23,14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3/b13-12-
InChIKey BQKIXOUNCGVXQT-SEYXRHQNSA-N
Molecular Weight 325.364 g/mol
SMILES C(N(=O)=O)(\C=C/C(=O)OC)(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0006-9020000000-01b988f6910dcc110d07
Source of Spectrum KC-1987-2038-10
Wiley ID 1324060