| SpectraBase Spectrum ID |
g1Ao0b1dLn |
| Name |
Dimethyl 3-hydroxy-5-(3-chlorophenylsulfanyl)phthalate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.017222388 u |
| Formula |
C16H13ClO5S |
| InChI |
InChI=1S/C16H13ClO5S/c1-21-15(19)12-7-11(8-13(18)14(12)16(20)22-2)23-10-5-3-4-9(17)6-10/h3-8,18H,1-2H3 |
| InChIKey |
JGBAETAVXYTHRD-UHFFFAOYSA-N |
| Molecular Weight |
352.788 g/mol |
| SMILES |
C=1(C(C(=O)OC)=CC(=CC1O)SC=1C=C(Cl)C=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96395 |
