| SpectraBase Spectrum ID |
7af1F1fE7SN |
| Name |
(3aS,4S,5S,7aS)-7-Bromo-2,2-dimethyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17BrO3S |
| InChI |
InChI=1S/C15H17BrO3S/c1-15(2)18-13-10(16)8-11(12(17)14(13)19-15)20-9-6-4-3-5-7-9/h3-8,11-14,17H,1-2H3/t11-,12+,13+,14-/m0/s1 |
| InChIKey |
SMJLSTWVMVDQOZ-DGAVXFQQSA-N |
| Molecular Weight |
357.262 g/mol |
| SMILES |
O[C@@]1([C@](C=C([C@@]2([C@]1(OC(C)(C)O2)[H])[H])Br)(Sc1ccccc1)[H])[H] |
| SPLASH |
splash10-02t9-7930000000-e750411a0072865495b1 |
| Source of Spectrum |
QC-17-477-4 |
| Synonyms |
(1S,2R,3S,6S)-6-(Phenylthio)-2,3-isopropylidendioxy-4-bromocyclohexene-1-ol
(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-(phenylsulfanyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol |
| Wiley ID |
1638078 |
![(3aS,4S,5S,7aS)-7-Bromo-2,2-dimethyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-ol](/api/spectrum/7af1F1fE7SN/structure.png?h=300&w=458 "(3aS,4S,5S,7aS)-7-Bromo-2,2-dimethyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-ol")
