SpectraBase Spectrum ID |
3TPuQA8wtyz |
Name |
Benzamide, 4-nitro-N-(2-phenylethyl)-N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.116092380 u |
Formula |
C16H16N2O3 |
InChI |
InChI=1S/C16H16N2O3/c1-17(12-11-13-5-3-2-4-6-13)16(19)14-7-9-15(10-8-14)18(20)21/h2-10H,11-12H2,1H3 |
InChIKey |
XNOWAOHNWYIHCK-UHFFFAOYSA-N |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)N(=O)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90487 |