| SpectraBase Spectrum ID |
50zTDES7n45 |
| Name |
1,1-Pentamethylene-3-(methylthio)-5-hydroxy-1,3-dihydroisobenzofuran |
| Alternate Name(s) |
3-(methylsulfanyl)-3H-spiro[2-benzofuran-1,1'-cyclohexane]-5-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O2S |
| InChI |
InChI=1S/C14H18O2S/c1-17-13-11-9-10(15)5-6-12(11)14(16-13)7-3-2-4-8-14/h5-6,9,13,15H,2-4,7-8H2,1H3 |
| InChIKey |
VKYGOWDNCVCMOL-UHFFFAOYSA-N |
| Molecular Weight |
250.356 g/mol |
| SMILES |
Oc1cc2C(OC3(c2cc1)CCCCC3)SC |
| SPLASH |
splash10-0udi-0190000000-20ad760f65735e9add56 |
| Source of Spectrum |
J-60-6172-11 |
| Wiley ID |
1253246 |
