| SpectraBase Spectrum ID |
GBKkvFRgnMJ |
| Name |
.beta.-Alanine, N-(3-methylbut-2-enoyl)-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.199093730 u |
| Formula |
C15H27NO3 |
| InChI |
InChI=1S/C15H27NO3/c1-4-5-6-7-8-11-19-15(18)9-10-16-14(17)12-13(2)3/h12H,4-11H2,1-3H3,(H,16,17) |
| InChIKey |
LIIAZXYMSXEAJJ-UHFFFAOYSA-N |
| SMILES |
CC(=CC(NCCC(OCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827206 |
