| SpectraBase Spectrum ID |
5r5zddUOnmy |
| Name |
1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-[(phenylthio)methyl]-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]- |
| CAS Registry Number |
106795-92-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16O2S |
| InChI |
InChI=1S/C15H16O2S/c16-15-13-9-5-4-8-12(13)14(17-15)10-18-11-6-2-1-3-7-11/h1-7,12-14H,8-10H2/t12-,13+,14+/m0/s1 |
| InChIKey |
MLCMKNFQXYAENQ-BFHYXJOUSA-N |
| Molecular Weight |
260.351 g/mol |
| SMILES |
C1(O[C@](CSc2ccccc2)([C@@]2([C@]1(CC=CC2)[H])[H])[H])=O |
| SPLASH |
splash10-01t9-9320000000-36eb6897f7b405f88b3f |
| Source of Spectrum |
F-44-1717-16 |
| Synonyms |
(1R,6S,7S)-7-Phenylthiomethyl-8-oxabicyclo[4.3.0]non-3-en-9-one
(3S,3aS,7aR)-3-[(phenylsulfanyl)methyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one |
| Wiley ID |
1263724 |
![1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-[(phenylthio)methyl]-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]-](/api/spectrum/5r5zddUOnmy/structure.png?h=300&w=458 "1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-[(phenylthio)methyl]-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]-")
