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Methyl N-(phenylmethylidene)-.beta.-alaninate

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

Methyl N-(phenylmethylidene)-.beta.-alaninate
SpectraBase Compound ID B9EI4lql31i
InChI InChI=1S/C11H13NO2/c1-14-11(13)7-8-12-9-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/b12-9+
InChIKey DLZXVOXSALWUGE-FMIVXFBMSA-N
Mol Weight 191.23 g/mol
Molecular Formula C11H13NO2
Exact Mass 191.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ht6n2Zs5vnq
Name Methyl N-(phenylmethylidene)-.beta.-alaninate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 191.094628661 u
Formula C11H13NO2
InChI InChI=1S/C11H13NO2/c1-14-11(13)7-8-12-9-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/b12-9+
InChIKey DLZXVOXSALWUGE-FMIVXFBMSA-N
Molecular Weight 191.230 g/mol
SMILES C1=CC=CC(=C1)\C=N\CCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923926