| SpectraBase Spectrum ID |
I6qSMBdgkJ0 |
| Name |
Benzene, 1-[[2-(2-methoxyphenyl)ethenyl]thio]-2-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.061614454 u |
| Formula |
C15H13NO3S |
| InChI |
InChI=1S/C15H13NO3S/c1-19-14-8-4-2-6-12(14)10-11-20-15-9-5-3-7-13(15)16(17)18/h2-11H,1H3/b11-10+ |
| InChIKey |
JURDWDDXGIPACB-ZHACJKMWSA-N |
| SMILES |
C=1(N(=O)=O)C(S\C=C\C=2C(OC)=CC=CC2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918984 |