| SpectraBase Spectrum ID |
HTxDWv7WeYf |
| Name |
.beta.-Alanine, N-isobutyryl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.277344052 u |
| Formula |
C19H37NO3 |
| InChI |
InChI=1S/C19H37NO3/c1-4-5-6-7-8-9-10-11-12-13-16-23-18(21)14-15-20-19(22)17(2)3/h17H,4-16H2,1-3H3,(H,20,22) |
| InChIKey |
FRHKQFCECXOUNC-UHFFFAOYSA-N |
| Molecular Weight |
327.509 g/mol |
| SMILES |
CC(C)C(NCCC(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951803 |
