| SpectraBase Spectrum ID |
Kxiq2Xeyp2T |
| Name |
1,1-Dimethyl-5-hydroxy-3-(phenylthio)-1,3-dihydroisobenzofuran |
| Alternate Name(s) |
1,1-dimethyl-3-(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)14-9-8-11(17)10-13(14)15(18-16)19-12-6-4-3-5-7-12/h3-10,15,17H,1-2H3 |
| InChIKey |
QBMGLCMEHHJEFZ-UHFFFAOYSA-N |
| Molecular Weight |
272.362 g/mol |
| SMILES |
Oc1cc2C(OC(C)(C)c2cc1)Sc1ccccc1 |
| SPLASH |
splash10-03di-0910000000-a082b3b5e41982fdbfa1 |
| Source of Spectrum |
QA-45-794-6 |
| Wiley ID |
862996 |
