| SpectraBase Spectrum ID |
GGEU0yhhheQ |
| Name |
1,1-Tetramethylene-3-(methylthio)-5-hydroxy-1,3-dihydroisobenzofuran |
| Alternate Name(s) |
3-(methylsulfanyl)-3H-spiro[2-benzofuran-1,1'-cyclopentane]-5-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O2S |
| InChI |
InChI=1S/C13H16O2S/c1-16-12-10-8-9(14)4-5-11(10)13(15-12)6-2-3-7-13/h4-5,8,12,14H,2-3,6-7H2,1H3 |
| InChIKey |
SMDLFEYLVAUMLZ-UHFFFAOYSA-N |
| Molecular Weight |
236.329 g/mol |
| SMILES |
Oc1cc2C(OC3(c2cc1)CCCC3)SC |
| SPLASH |
splash10-000i-0900000000-1a49a89042e70fdc1b55 |
| Source of Spectrum |
J-60-6172-11 |
| Wiley ID |
1237994 |
