| SpectraBase Spectrum ID |
1PnRMEnB8Pc |
| Name |
(4aR*,5R*)-1,4-Dioxo-5-hydroxy-3-phenylsulfanyl-1,4,4a,5,8,8a-hexahydronaphthalene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14O3S |
| InChI |
InChI=1S/C16H14O3S/c17-12-8-4-7-11-13(18)9-14(16(19)15(11)12)20-10-5-2-1-3-6-10/h1-6,8-9,11-12,15,17H,7H2/t11?,12-,15+/m0/s1 |
| InChIKey |
BWHFYHKSORZMTI-WQKBPTQTSA-N |
| Molecular Weight |
286.345 g/mol |
| SMILES |
O[C@@]1([C@@]2(C(C(=CC(=O)C2CC=C1)Sc1ccccc1)=O)[H])[H] |
| SPLASH |
splash10-014r-0090000000-cd045bb34d4d52c30521 |
| Source of Spectrum |
F-53-7725-15 |
| Synonyms |
(4aR*,5R*)-1,4-Dioxo-5-hydroxy-3-phenylsulfonyl-1,4,4a,5,8,8a-hexahydronaphthalene
(8S,8aR)-8-hydroxy-2-(phenylsulfanyl)-4a,5,8,8a-tetrahydro-1,4-naphthalenedione |
| Wiley ID |
802323 |
