| SpectraBase Spectrum ID |
DyJxXjyf4xJ |
| Name |
.beta.-Alanine, N-cyclohexylcarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.308644181 u |
| Formula |
C22H41NO3 |
| InChI |
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-14-19-26-21(24)17-18-23-22(25)20-15-12-11-13-16-20/h20H,2-19H2,1H3,(H,23,25) |
| InChIKey |
ILBVEVIOYSBIPW-UHFFFAOYSA-N |
| Molecular Weight |
367.574 g/mol |
| SMILES |
C1CCCCC1C(NCCC(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923552 |
