| SpectraBase Spectrum ID |
Br32gGFBI2L |
| Name |
4-(p-Chlorophenyl)-5,6-dihydrobenzo[H]thiochroman-2,3-dicarboxylic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.043043214 u |
| Formula |
C21H15ClO3S |
| InChI |
InChI=1S/C21H15ClO3S/c22-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)18(15)26-19-17(16)20(23)25-21(19)24/h1-6,8-9,16-17,19H,7,10H2 |
| InChIKey |
PDZKQGCGQHZYAW-UHFFFAOYSA-N |
| Molecular Weight |
382.861 g/mol |
| SMILES |
C12C(SC3=C(C2C2=CC=C(C=C2)Cl)CCC2=CC=CC=C32)C(=O)OC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947411 |
![4-(p-Chlorophenyl)-5,6-dihydrobenzo[h]thiochroman-2,3-dicarboxylic anhydride](/api/spectrum/Br32gGFBI2L/structure.png?h=300&w=458 "4-(p-Chlorophenyl)-5,6-dihydrobenzo[h]thiochroman-2,3-dicarboxylic anhydride")
