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1H-Indene-1,5(4H)-dione, hexahydro-3a,7a-dimethyl-, (3aR-cis)-
SpectraBase Compound ID 24oCaskDW2F
InChI InChI=1S/C11H16O2/c1-10-5-4-9(13)11(10,2)6-3-8(12)7-10/h3-7H2,1-2H3/t10-,11-/m1/s1
InChIKey PJKSPQUMSGVWFF-GHMZBOCLSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AayBgibrCHA
Name 1H-Indene-1,5(4H)-dione, hexahydro-3a,7a-dimethyl-, (3aR-cis)-
CAS Registry Number 79897-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-10-5-4-9(13)11(10,2)6-3-8(12)7-10/h3-7H2,1-2H3/t10-,11-/m1/s1
InChIKey PJKSPQUMSGVWFF-GHMZBOCLSA-N
Molecular Weight 180.247 g/mol
SMILES [C@@]12([C@@](CC(CC2)=O)(CCC1=O)C)C
SPLASH splash10-01x0-5900000000-9df0772bcb5e33e24a5a
Source of Spectrum KC-1981-1999-0
Synonyms (+)-(3a,R,7aS)-3a,7a-Dimethylindan-1,5-dione (3aR,7aS)-3a,7a-dimethylhexahydro-1H-indene-1,5(4H)-dione
Wiley ID 1176475