| SpectraBase Spectrum ID |
5aTOjFULMOA |
| Name |
.beta.-Alanine, N-(3-methylbut-2-enoyl)-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.214743795 u |
| Formula |
C16H29NO3 |
| InChI |
InChI=1S/C16H29NO3/c1-4-5-6-7-8-9-12-20-16(19)10-11-17-15(18)13-14(2)3/h13H,4-12H2,1-3H3,(H,17,18) |
| InChIKey |
RJGHMGYFMHNHKK-UHFFFAOYSA-N |
| SMILES |
CC(=CC(NCCC(OCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856537 |
