| SpectraBase Spectrum ID |
FdMAVkiRXXn |
| Name |
Benzene, 1-[[(4-methoxyphenyl)ethynyl]thio]-2-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.045964389 u |
| Formula |
C15H11NO3S |
| InChI |
InChI=1S/C15H11NO3S/c1-19-13-8-6-12(7-9-13)10-11-20-15-5-3-2-4-14(15)16(17)18/h2-9H,1H3 |
| InChIKey |
SJXCKOMBSHIMTI-UHFFFAOYSA-N |
| SMILES |
C=1(N(=O)=O)C(SC#CC=2C=CC(=CC2)OC)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915587 |
![Benzene, 1-[[(4-methoxyphenyl)ethynyl]thio]-2-nitro-](/api/spectrum/FdMAVkiRXXn/structure.png?h=300&w=458 "Benzene, 1-[[(4-methoxyphenyl)ethynyl]thio]-2-nitro-")
