| SpectraBase Spectrum ID |
BkZGk1fIOVN |
| Name |
Carbonic acid, monoamide, N-benzyl-N-dodecyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.266779369 u |
| Formula |
C21H35NO2 |
| InChI |
InChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-15-18-22(21(23)24-2)19-20-16-13-12-14-17-20/h12-14,16-17H,3-11,15,18-19H2,1-2H3 |
| InChIKey |
LWVCZWSFLGXQSF-UHFFFAOYSA-N |
| Molecular Weight |
333.516 g/mol |
| SMILES |
COC(=O)N(CCCCCCCCCCCC)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881586 |
