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N-Acetyl-L-phenylalanyl-.gamma.-aminocrotonitrile

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

N-Acetyl-L-phenylalanyl-.gamma.-aminocrotonitrile
SpectraBase Compound ID 3yN7p4bDyK9
InChI InChI=1S/C15H17N3O2/c1-11(19)18-14(9-12-5-3-2-4-6-12)15(20)13(10-17)7-8-16/h2-7,14H,8-9,16H2,1H3,(H,18,19)/b13-7-
InChIKey RUBKTODIIQUTEZ-QPEQYQDCSA-N
Mol Weight 271.32 g/mol
Molecular Formula C15H17N3O2
Exact Mass 271.132077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1LUsHRDwb3O
Name N-Acetyl-L-phenylalanyl-.gamma.-aminocrotonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.132076797 u
Formula C15H17N3O2
InChI InChI=1S/C15H17N3O2/c1-11(19)18-14(9-12-5-3-2-4-6-12)15(20)13(10-17)7-8-16/h2-7,14H,8-9,16H2,1H3,(H,18,19)/b13-7-
InChIKey RUBKTODIIQUTEZ-QPEQYQDCSA-N
SMILES C(C(\C(C#N)=C/CN)=O)(NC(=O)C)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967324