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L-Homophenylalanine, N-(N-propyl)-, N-propyl ester

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L-Homophenylalanine, N-(N-propyl)-, N-propyl ester
SpectraBase Compound ID KmsB4Mlg5b0
InChI InChI=1S/C16H25NO2/c1-3-12-17-15(16(18)19-13-4-2)11-10-14-8-6-5-7-9-14/h5-9,15,17H,3-4,10-13H2,1-2H3
InChIKey KRVIGEJWEIAZAE-UHFFFAOYSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1NNLTeTC1ZP
Name L-Homophenylalanine, N-(N-propyl)-, N-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.188529047 u
Formula C16H25NO2
InChI InChI=1S/C16H25NO2/c1-3-12-17-15(16(18)19-13-4-2)11-10-14-8-6-5-7-9-14/h5-9,15,17H,3-4,10-13H2,1-2H3
InChIKey KRVIGEJWEIAZAE-UHFFFAOYSA-N
Molecular Weight 263.381 g/mol
SMILES C1=CC=CC(=C1)CCC(NCCC)C(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814787