| SpectraBase Spectrum ID |
HFoy7FCMeLm |
| Name |
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-5-(phenylthio)-, (3a.alpha.,4.beta.,7a.alpha.)- |
| CAS Registry Number |
98793-51-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14O3S |
| InChI |
InChI=1S/C15H14O3S/c1-9-12(19-10-5-3-2-4-6-10)8-7-11-13(9)15(17)18-14(11)16/h2-6,8-9,11,13H,7H2,1H3/t9-,11+,13-/m0/s1 |
| InChIKey |
HHGPFNHJLVPVBI-NDMJEZRESA-N |
| Molecular Weight |
274.334 g/mol |
| SMILES |
C1(OC(=O)[C@]2([C@@]1([C@](C(=CC2)Sc1ccccc1)(C)[H])[H])[H])=O |
| SPLASH |
splash10-074i-0690000000-436791eac8e5f4bd27e7 |
| Source of Spectrum |
KC-1985-1064-49 |
| Synonyms |
(3aR,4R,7aR)-4-methyl-5-(phenylsulfanyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
3-Methyl-4-phenylthiocyclohex-4-ene-1,2-dicarboxylic |
| Wiley ID |
1278015 |
