| SpectraBase Spectrum ID |
HWXzSnXv7eY |
| Name |
trans-3-(phenylthio)-5,6,4a,8a-tetrahydro-4a,8a-di-methylanphthalene-1,8-(4H,7H)-dione |
| CAS Registry Number |
105090-23-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O2S |
| InChI |
InChI=1S/C18H20O2S/c1-17-10-6-9-15(19)18(17,2)16(20)11-14(12-17)21-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3/t17-,18-/m0/s1 |
| InChIKey |
ADAIBZXCMJVBRB-ROUUACIJSA-N |
| Molecular Weight |
300.416 g/mol |
| SMILES |
[C@@]12([C@](CC(=CC2=O)Sc2ccccc2)(CCCC1=O)C)C |
| SPLASH |
splash10-0gdi-7904000000-00c79800f69dc6f3074f |
| Source of Spectrum |
J-52-118-34 |
| Synonyms |
(4aS,8aS)-4a,8a-dimethyl-6-(phenylsulfanyl)-3,4,4a,8a-tetrahydro-1,8(2H,5H)-naphthalenedione |
| Wiley ID |
1303016 |
