| SpectraBase Spectrum ID |
2gc1Nb1BD2e |
| Name |
4H-1-Benzopyran-4-one, 3-[(4-chlorophenyl)sulfinyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.996093021 u |
| Formula |
C15H9ClO3S |
| InChI |
InChI=1S/C15H9ClO3S/c16-10-5-7-11(8-6-10)20(18)14-9-19-13-4-2-1-3-12(13)15(14)17/h1-9H |
| InChIKey |
YKFRTDOFWNSUOG-UHFFFAOYSA-N |
| Molecular Weight |
304.747 g/mol |
| SMILES |
C=1(C(C2=CC=CC=C2OC1)=O)S(C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964971 |
![4H-1-Benzopyran-4-one, 3-[(4-chlorophenyl)sulfinyl]-](/api/spectrum/2gc1Nb1BD2e/structure.png?h=300&w=458 "4H-1-Benzopyran-4-one, 3-[(4-chlorophenyl)sulfinyl]-")
