| SpectraBase Spectrum ID |
hoJ1uqPlfo |
| Name |
.beta.-Alanine, N-isobutyryl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.308644181 u |
| Formula |
C21H41NO3 |
| InChI |
InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-25-20(23)16-17-22-21(24)19(2)3/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey |
XGDYFIPEDWKJHO-UHFFFAOYSA-N |
| Molecular Weight |
355.563 g/mol |
| SMILES |
CC(C)C(NCCC(OCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918026 |
