| SpectraBase Spectrum ID |
Ez89gmC6Gwo |
| Name |
.beta.-Alanine, N-isobutyryl-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.261693988 u |
| Formula |
C18H35NO3 |
| InChI |
InChI=1S/C18H35NO3/c1-4-5-6-7-8-9-10-11-12-15-22-17(20)13-14-19-18(21)16(2)3/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey |
QODWLHVQSNRPTM-UHFFFAOYSA-N |
| SMILES |
CC(C)C(NCCC(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929171 |
