| SpectraBase Spectrum ID |
JBe11ho6dof |
| Name |
.beta.-Alanine, N-(3-methylbenzoyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.277344052 u |
| Formula |
C23H37NO3 |
| InChI |
InChI=1S/C23H37NO3/c1-3-4-5-6-7-8-9-10-11-12-18-27-22(25)16-17-24-23(26)21-15-13-14-20(2)19-21/h13-15,19H,3-12,16-18H2,1-2H3,(H,24,26) |
| InChIKey |
MTPYCUFRBIWRFP-UHFFFAOYSA-N |
| Molecular Weight |
375.553 g/mol |
| SMILES |
C1=CC=C(C=C1C(NCCC(OCCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904651 |
