| SpectraBase Spectrum ID |
AfqXFwtveoi |
| Name |
trans-3-(phenylthio)-5,6,4a,8a-tetrahydro-8a-methyl-naphthalene-1,8(4H,7H)-dione |
| Alternate Name(s) |
(4aR,8aR)-8a-methyl-6-(phenylsulfanyl)-3,4,4a,8a-tetrahydro-1,8(2H,5H)-naphthalenedione |
| CAS Registry Number |
105090-22-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18O2S |
| InChI |
InChI=1S/C17H18O2S/c1-17-12(6-5-9-15(17)18)10-14(11-16(17)19)20-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3/t12-,17-/m1/s1 |
| InChIKey |
MBSTXQLKORXVFS-SJKOYZFVSA-N |
| Molecular Weight |
286.389 g/mol |
| SMILES |
[C@@]12(C(C=C(C[C@]2(CCCC1=O)[H])Sc1ccccc1)=O)C |
| SPLASH |
splash10-004i-9510000000-2ca06a22dccc395837fe |
| Source of Spectrum |
J-52-118-0 |
| Wiley ID |
1289964 |
