| SpectraBase Spectrum ID |
CpfMyXlHWBs |
| Name |
.beta.-Alanine, N-(2-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/c1-3-4-5-6-7-8-9-10-11-14-19-27-22(25)17-18-24-23(26)21-16-13-12-15-20(21)2/h12-13,15-16H,3-11,14,17-19H2,1-2H3,(H,24,26) |
| InChIKey |
WXWNNADSEHEJPI-UHFFFAOYSA-N |
| Molecular Weight |
375.553 g/mol |
| SMILES |
C1(=CC=CC=C1C(NCCC(OCCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879185 |
