| SpectraBase Spectrum ID |
K0pKO1y2EAq |
| Name |
2,3-Dichloro-endo-5,exo-6-bis(phenylsulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.965971294 u |
| Formula |
C18H14Cl2O5S2 |
| InChI |
InChI=1S/C18H14Cl2O5S2/c19-13-14(20)16-18(27(23,24)12-9-5-2-6-10-12)17(15(13)25-16)26(21,22)11-7-3-1-4-8-11/h1-10,15-18H |
| InChIKey |
HIRFNQFKLGZDOG-UHFFFAOYSA-N |
| Molecular Weight |
445.331 g/mol |
| SMILES |
C1(C(S(=O)(=O)C=2C=CC=CC2)C2OC1C(=C2Cl)Cl)S(=O)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90207 |
![2,3-Dichloro-endo-5,exo-6-bis(phenylsulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene](/api/spectrum/K0pKO1y2EAq/structure.png?h=300&w=458 "2,3-Dichloro-endo-5,exo-6-bis(phenylsulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene")
