For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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.)]-
SpectraBase Compound ID Hq6DZziU4Fk
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
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ufongQ07xX
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-ca2f2cc9410f8650c2bf
Source of Spectrum KC-1981-2306-0
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 1255502