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N-formyl-cis-crotylglycine phenyl ester

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

N-formyl-cis-crotylglycine phenyl ester
SpectraBase Compound ID GiacfZ9VR2A
InChI InChI=1S/C13H15NO3/c1-2-3-9-14(11-15)10-13(16)17-12-7-5-4-6-8-12/h2-8,11H,9-10H2,1H3/b3-2-
InChIKey KXSLLZHHULUYBQ-IHWYPQMZSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9OX2fkA0BXR
Name N-Formyl-cis-crotylglycine phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.105193344 u
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-2-3-9-14(11-15)10-13(16)17-12-7-5-4-6-8-12/h2-8,11H,9-10H2,1H3/b3-2-
InChIKey KXSLLZHHULUYBQ-IHWYPQMZSA-N
Molecular Weight 233.267 g/mol
SMILES C(OC=1C=CC=CC1)(=O)CN(C=O)C\C=C/C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954943