| SpectraBase Spectrum ID |
8XxF0qoMVT9 |
| Name |
Carbonic acid, monoamide, N-benzyl-N-octyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.251129305 u |
| Formula |
C20H33NO2 |
| InChI |
InChI=1S/C20H33NO2/c1-4-5-6-7-8-12-15-21(20(22)23-17-18(2)3)16-19-13-10-9-11-14-19/h9-11,13-14,18H,4-8,12,15-17H2,1-3H3 |
| InChIKey |
HMDUKZMOZWLQPW-UHFFFAOYSA-N |
| Molecular Weight |
319.489 g/mol |
| SMILES |
C(OCC(C)C)(=O)N(CCCCCCCC)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821759 |
