For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

.beta.-Alanine, N-caproyl-, propyl ester

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

.beta.-Alanine, N-caproyl-, propyl ester
SpectraBase Compound ID GlbIXClhXyz
InChI InChI=1S/C12H23NO3/c1-3-5-6-7-11(14)13-9-8-12(15)16-10-4-2/h3-10H2,1-2H3,(H,13,14)
InChIKey OGPRBKDKHWXZFR-UHFFFAOYSA-N
Mol Weight 229.32 g/mol
Molecular Formula C12H23NO3
Exact Mass 229.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KLef68JfzJD
Name .beta.-Alanine, N-caproyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.167793602 u
Formula C12H23NO3
InChI InChI=1S/C12H23NO3/c1-3-5-6-7-11(14)13-9-8-12(15)16-10-4-2/h3-10H2,1-2H3,(H,13,14)
InChIKey OGPRBKDKHWXZFR-UHFFFAOYSA-N
Molecular Weight 229.320 g/mol
SMILES CCCCCC(NCCC(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980623