| SpectraBase Spectrum ID |
8gK6J845bxK |
| Name |
Acetamide, 2-(4-nitrophenyl)-N-benzyl-N-(hept-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.209992767 u |
| Formula |
C22H28N2O3 |
| InChI |
InChI=1S/C22H28N2O3/c1-3-4-6-9-18(2)23(17-20-10-7-5-8-11-20)22(25)16-19-12-14-21(15-13-19)24(26)27/h5,7-8,10-15,18H,3-4,6,9,16-17H2,1-2H3 |
| InChIKey |
IRSHLIQCEZKHPA-UHFFFAOYSA-N |
| Molecular Weight |
368.477 g/mol |
| SMILES |
C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)CC=1C=CC(=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94592 |
