| SpectraBase Spectrum ID |
IzP9YDcDuzZ |
| Name |
(4aS,5S,8R)-4a,5,8,8a-Tetrahydro-4a-phenylsulfonyl-5,8-methano-1,4-naphthoquinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14O4S |
| InChI |
InChI=1S/C17H14O4S/c18-14-8-9-15(19)17(12-7-6-11(10-12)16(14)17)22(20,21)13-4-2-1-3-5-13/h1-9,11-12,16H,10H2/t11-,12+,16?,17+/m0/s1 |
| InChIKey |
LCYYURVEFBGDFN-UZQPLHAUSA-N |
| Molecular Weight |
314.355 g/mol |
| SMILES |
[C@]12(S(=O)(=O)c3ccccc3)C([C@@]3(C[C@]1(C=C3)[H])[H])C(=O)C=CC2=O |
| SPLASH |
splash10-0udi-9000000000-4da007ea2424652ce3be |
| Source of Spectrum |
KC-1992-2883-11 |
| Synonyms |
(1S,2S,8R)-2-(phenylsulfonyl)tricyclo[6.2.1.0(2,7)]undeca-4,9-diene-3,6-dione
4a,5,8,8a-Tetrahydro-4a-phenylsulfonyl-5,8-methano-1,4-naphthoquinone |
| Wiley ID |
777076 |
