| SpectraBase Spectrum ID |
1cGhmVYD5p5 |
| Name |
5-Nitro-3-(toluene-4-sulfonyl)-2,3-dihydrobenzofuran-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.046358311 u |
| Formula |
C15H13NO6S |
| InChI |
InChI=1S/C15H13NO6S/c1-9-2-5-11(6-3-9)23(20,21)14-12-8-10(16(18)19)4-7-13(12)22-15(14)17/h2-8,14-15,17H,1H3 |
| InChIKey |
CLIHPDPLVSRFGH-UHFFFAOYSA-N |
| Molecular Weight |
335.330 g/mol |
| SMILES |
C1(S(C=2C=CC(=CC2)C)(=O)=O)C=2C(=CC=C(N(=O)=O)C2)OC1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871372 |
