| SpectraBase Spectrum ID |
9P2LQJo29ae |
| Name |
1-Butyl-3-methyl 2-benzoyl-5-(methylsulfanyl)isophthalate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O5S |
| InChI |
InChI=1S/C21H22O5S/c1-21(2,3)26-20(24)16-12-14(27-5)11-15(19(23)25-4)17(16)18(22)13-9-7-6-8-10-13/h6-12H,1-5H3 |
| InChIKey |
POTBWAXZKVNPKD-UHFFFAOYSA-N |
| Molecular Weight |
386.462 g/mol |
| SMILES |
c1(c(C(OC(C)(C)C)=O)cc(cc1C(=O)OC)SC)C(=O)c1ccccc1 |
| SPLASH |
splash10-0zmr-0295000000-9d63b63175e17720193e |
| Source of Spectrum |
J-64-6187-24 |
| Wiley ID |
1530772 |
