| SpectraBase Spectrum ID |
I5PQ8dfF5C4 |
| Name |
Acetamide, 2-(4-nitrophenyl)-N-propyl-N-(hept-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.209992767 u |
| Formula |
C18H28N2O3 |
| InChI |
InChI=1S/C18H28N2O3/c1-4-6-7-8-15(3)19(13-5-2)18(21)14-16-9-11-17(12-10-16)20(22)23/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey |
XNDPWINLCPXTFW-UHFFFAOYSA-N |
| Molecular Weight |
320.433 g/mol |
| SMILES |
C(C1=CC=C(C=C1)N(=O)=O)C(N(C(CCCCC)C)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94998 |
