SpectraBase Spectrum ID |
Av6Xa5J6EP9 |
Name |
Benzamide, N-[2-(4-methylphenoxy)ethyl]-2-nitro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
300.111006999 u |
Formula |
C16H16N2O4 |
InChI |
InChI=1S/C16H16N2O4/c1-12-6-8-13(9-7-12)22-11-10-17-16(19)14-4-2-3-5-15(14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19) |
InChIKey |
LSWOOFZOQYSZRD-UHFFFAOYSA-N |
SMILES |
C1=CC=C(C(=C1)N(=O)=O)C(=O)NCCOC=1C=CC(C)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809156 |