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2,4-Pentadienoic acid, 2-amino-5-phenyl-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lv43VBK6uo0
Name 2,4-Pentadienoic acid, 2-amino-5-phenyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.094628661 u
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 C(\C(=C/C=C/C=1C=CC=CC1)N)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94811