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1H-Indene-1,4(2H)-dione, hexahydro-3a,7a-dimethyl-, trans-
SpectraBase Compound ID H1OfX3mHvDd
InChI InChI=1S/C11H16O2/c1-10-6-3-4-8(12)11(10,2)7-5-9(10)13/h3-7H2,1-2H3/t10-,11+/m1/s1
InChIKey VUDORAKYVLDCOV-MNOVXSKESA-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 2NLjdvaQnjB
Name 1H-Indene-1,4(2H)-dione, hexahydro-3a,7a-dimethyl-, trans-
Alternate Name(s) (3aR,7aS)-3a,7a-dimethyl-3,5,6,7-tetrahydro-2H-indene-1,4-dione (3aR,7aS)-3a,7a-dimethyl-3,5,6,7-tetrahydro-2H-indene-1,4-quinone
CAS Registry Number 62617-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-10-6-3-4-8(12)11(10,2)7-5-9(10)13/h3-7H2,1-2H3/t10-,11+/m1/s1
InChIKey VUDORAKYVLDCOV-MNOVXSKESA-N
Molecular Weight 180.247 g/mol
SMILES [C@]12([C@@](C(=O)CC2)(CCCC1=O)C)C
SPLASH splash10-05o3-4900000000-b35b971c65fd45cdfc9a
Source of Spectrum C-99-1962-0
Wiley ID 1176476