| SpectraBase Spectrum ID |
3Fvjx2xgCIh |
| Name |
1-(4-Nitrophenyl)-2-(phenylsulfonyl)prop-2-en-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.051443692 u |
| Formula |
C15H13NO5S |
| InChI |
InChI=1S/C15H13NO5S/c1-11(22(20,21)14-5-3-2-4-6-14)15(17)12-7-9-13(10-8-12)16(18)19/h2-10,15,17H,1H2 |
| InChIKey |
OASAVOWXTZIERN-UHFFFAOYSA-N |
| Molecular Weight |
319.331 g/mol |
| SMILES |
C(S(=O)(=O)C1=CC=CC=C1)(C(C=1C=CC(N(=O)=O)=CC1)O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846603 |
