| SpectraBase Spectrum ID |
2bZVzPP960 |
| Name |
(3aS,4S,5S,7aR)-2,2-Dimethyl-5-phen ylsulfanyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-ol |
| Alternate Name(s) |
(1S,2R,3R,6S)-6-(Phenylthio)-2,3-isopropylidendioxycyclohexene-1-ol
(3aS,4S,5S,7aR)-2,2-dimethyl-5-(phenylsulfanyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O3S |
| InChI |
InChI=1S/C15H18O3S/c1-15(2)17-11-8-9-12(13(16)14(11)18-15)19-10-6-4-3-5-7-10/h3-9,11-14,16H,1-2H3/t11-,12+,13-,14-/m1/s1 |
| InChIKey |
NASQQKDLDAAJIY-XJFOESAGSA-N |
| Molecular Weight |
278.366 g/mol |
| SMILES |
O[C@]1([C@@]2(OC(C)(C)O[C@@]2(C=C[C@@]1(Sc1ccccc1)[H])[H])[H])[H] |
| SPLASH |
splash10-0ce9-9210000000-7f92d324fee211a3f0ee |
| Source of Spectrum |
QC-17-477-7 |
| Wiley ID |
1638076 |
![(3aS,4S,5S,7aR)-2,2-Dimethyl-5-phen ylsulfanyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-ol](/api/spectrum/2bZVzPP960/structure.png?h=300&w=458 "(3aS,4S,5S,7aR)-2,2-Dimethyl-5-phen ylsulfanyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-ol")
