| SpectraBase Spectrum ID |
F96EivLlFS8 |
| Name |
1-Cyano-1-phenyl-1-(3-methoxy-4-nitrophenyl)ethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.100442316 u |
| Formula |
C16H14N2O3 |
| InChI |
InChI=1S/C16H14N2O3/c1-16(11-17,12-6-4-3-5-7-12)13-8-9-14(18(19)20)15(10-13)21-2/h3-10H,1-2H3 |
| InChIKey |
DNVNIMHWCFCORH-UHFFFAOYSA-N |
| Molecular Weight |
282.299 g/mol |
| SMILES |
C=1(N(=O)=O)C(=CC(C(C#N)(C=2C=CC=CC2)C)=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920583 |
