| SpectraBase Spectrum ID |
Fdj2dik5R9S |
| Name |
.beta.-Alanine, N-(3-methoxybenzoyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.272258671 u |
| Formula |
C23H37NO4 |
| InChI |
InChI=1S/C23H37NO4/c1-3-4-5-6-7-8-9-10-11-12-18-28-22(25)16-17-24-23(26)20-14-13-15-21(19-20)27-2/h13-15,19H,3-12,16-18H2,1-2H3,(H,24,26) |
| InChIKey |
LYLYHUMCKPGXJH-UHFFFAOYSA-N |
| Molecular Weight |
391.552 g/mol |
| SMILES |
C1=C(C=CC=C1C(NCCC(OCCCCCCCCCCCC)=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816778 |
