| SpectraBase Spectrum ID |
85ia49A0LzB |
| Name |
Carbamic acid, N-benzyl-N-octadecyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.391979884 u |
| Formula |
C29H51NO2 |
| InChI |
InChI=1S/C29H51NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(29(31)32-26-4-2)27-28-23-20-19-21-24-28/h19-21,23-24H,3-18,22,25-27H2,1-2H3 |
| InChIKey |
JXGOYMJGFDOHDQ-UHFFFAOYSA-N |
| Molecular Weight |
445.732 g/mol |
| SMILES |
C(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807924 |
