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

*Links on SpectraBase are not permalinks.
.beta.-Alanine, N-isobutyryl-, pentadecyl ester
SpectraBase Compound ID GspMNhhEjQm
InChI InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21(24)17-18-23-22(25)20(2)3/h20H,4-19H2,1-3H3,(H,23,25)
InChIKey WYXNMQPJPFDDGB-UHFFFAOYSA-N
Mol Weight 369.6 g/mol
Molecular Formula C22H43NO3
Exact Mass 369.324294 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 IOhLe9I91CU
Name .beta.-Alanine, N-isobutyryl-, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.324294246 u
Formula C22H43NO3
InChI InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21(24)17-18-23-22(25)20(2)3/h20H,4-19H2,1-3H3,(H,23,25)
InChIKey WYXNMQPJPFDDGB-UHFFFAOYSA-N
Molecular Weight 369.590 g/mol
SMILES CC(C)C(NCCC(OCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922397