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2,4-Pentadienoic acid, 2-amino-5-phenyl-, methyl ester
SpectraBase Compound ID DlKhGygnKHo
InChI InChI=1S/C12H13NO2/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10/h2-9H,13H2,1H3/b8-5+,11-9+
InChIKey HQMCOPRWESRXQH-OSODFHRSSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NJV27YHc1j
Name 2,4-Pentadienoic acid, 2-amino-5-phenyl-, methyl ester
Alternate Name(s) Methyl (2E,4E)-2-amino-5-phenyl-2,4-pentadienoate Methyl 2-amino-5-phenyl-2,4-pentadienecarboxylate
CAS Registry Number 116340-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10/h2-9H,13H2,1H3/b8-5+,11-9+
InChIKey HQMCOPRWESRXQH-OSODFHRSSA-N
Molecular Weight 203.241 g/mol
SMILES N\C(C(=O)OC)=C\C=C\c1ccccc1
SPLASH splash10-00kf-0920000000-30d8114a636c310c83aa
Source of Spectrum AH-119-578-3
Wiley ID 1200892