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 |