| SpectraBase Spectrum ID |
L51iYrFPqg2 |
| Name |
.beta.-Alanine, N-(3-methylbenzoyl)-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.308644181 u |
| Formula |
C25H41NO3 |
| InChI |
InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-29-24(27)18-19-26-25(28)23-17-15-16-22(2)21-23/h15-17,21H,3-14,18-20H2,1-2H3,(H,26,28) |
| InChIKey |
SSYWIVACJVMATO-UHFFFAOYSA-N |
| Molecular Weight |
403.607 g/mol |
| SMILES |
C1=CC=C(C=C1C(NCCC(OCCCCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866843 |
