| SpectraBase Spectrum ID |
9tk5Jc1MrDp |
| Name |
1,1-Dimethyl-5-hydroxy-6-(phenylthio)-1,3-dihydroisobenzofuran |
| Alternate Name(s) |
1,1-dimethyl-6-(phenylsulfanyl)-1,3-dihydro-2-benzofuran-5-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16O2S |
| InChI |
InChI=1S/C16H16O2S/c1-16(2)13-9-15(14(17)8-11(13)10-18-16)19-12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3 |
| InChIKey |
TVRVAUMOMQUWCA-UHFFFAOYSA-N |
| Molecular Weight |
272.362 g/mol |
| SMILES |
Oc1cc2c(cc1Sc1ccccc1)C(OC2)(C)C |
| SPLASH |
splash10-03di-0910000000-a082b3b5e41982fdbfa1 |
| Source of Spectrum |
QA-45-793-5 |
| Wiley ID |
862997 |
