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6-(Carboxyamino)hexanoic acid, N-benzyl ester

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

6-(Carboxyamino)hexanoic acid, N-benzyl ester
SpectraBase Compound ID J69cgSUEphr
InChI InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)
InChIKey RXQDBVWDABAAHL-UHFFFAOYSA-N
Mol Weight 265.31 g/mol
Molecular Formula C14H19NO4
Exact Mass 265.131408 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LZAzag4IFpy
Name 6-(Carboxyamino)hexanoic acid, N-benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.131408092 u
Formula C14H19NO4
InChI InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)
InChIKey RXQDBVWDABAAHL-UHFFFAOYSA-N
Molecular Weight 265.309 g/mol
SMILES C=1C=CC=CC1COC(=O)NCCCCCC(=O)O
Spectrum/Structure Validation Score (Raman) 0.983033