SpectraBase Spectrum ID |
H4KmE6sFqVV |
Name |
1H-Indene-1,5(4H)-dione, 2,3,3a,7a-tetrahydro-3a,7a-dimethyl-3-[(1-methylethyl)thio]-, [3R-(3.alpha.,3a.alpha.,7a.alpha.)]- |
CAS Registry Number |
79866-11-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C14H20O2S |
InChI |
InChI=1S/C14H20O2S/c1-9(2)17-12-7-11(16)13(3)6-5-10(15)8-14(12,13)4/h5-6,9,12H,7-8H2,1-4H3/t12-,13-,14+/m1/s1 |
InChIKey |
CWWUHAYVWXYONP-MCIONIFRSA-N |
Molecular Weight |
252.372 g/mol |
SMILES |
[C@]12([C@]([C@](SC(C)C)(CC2=O)[H])(CC(C=C1)=O)C)C |
SPLASH |
splash10-0a6u-9800000000-56bb12ff398a41d0a941 |
Source of Spectrum |
KC-1981-2396-0 |
Synonyms |
(+)-(3S,3aR,7aS)-2,3,3a,7a-Tetrahydro-3-isopropylthio-3a,7a-dimethyl-4H-indene-1,5-dione
(+)-(3R,3aR,7aS)-2,3,3a,7a-Tetrahydro-3-isopropylthio-3a,7a-dimethyl-4H-indene-1,5-dione
(3R,3aR,7aS)-3-(isopropylsulfanyl)-3a,7a-dimethyl-2,3,3a,7a-tetrahydro-1H-indene-1,5(4H)-dione |
Wiley ID |
1255501 |