| SpectraBase Spectrum ID |
DHPKcsFIhQ0 |
| Name |
4a,5,8,8a-Tetrahydro-5-methyl-4a-phenylsulfonyl-1,4-naphthoquinone |
| Alternate Name(s) |
(4aS,5R)-4a,5,8,8a-Tetrahydro-5-methyl-4a-phenylsulfonyl-1,4-naphthoquinone
5-methyl-4a-(phenylsulfonyl)-4a,5,8,8a-tetrahydro-1,4-naphthalenedione
(8R,8aS)-8a-(benzenesulfonyl)-8-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
(8R,8aS)-8-methyl-8a-(phenylsulfonyl)-5,8-dihydro-4aH-naphthalene-1,4-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O4S |
| InChI |
InChI=1S/C17H16O4S/c1-12-6-5-9-14-15(18)10-11-16(19)17(12,14)22(20,21)13-7-3-2-4-8-13/h2-8,10-12,14H,9H2,1H3/t12-,14?,17+/m1/s1 |
| InChIKey |
YJEKLQTVYZBOHC-YTQWVHSASA-N |
| Molecular Weight |
316.371 g/mol |
| SMILES |
[C@@]12(S(=O)(=O)c3ccccc3)C(C(=O)C=CC1=O)CC=C[C@]2(C)[H] |
| SPLASH |
splash10-004i-9001000000-96d1cbc3bcfedb35c10d |
| Source of Spectrum |
KC-1992-2883-12 |
| Wiley ID |
777074 |
