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4.beta.-t-butyl-3a.beta.,4,5,6,7,7a-hexahydro-1h-inden-1-one
SpectraBase Compound ID EjwNSKLInBi
InChI InChI=1S/C13H20O/c1-13(2,3)11-6-4-5-10-9(11)7-8-12(10)14/h7-11H,4-6H2,1-3H3/t9-,10?,11-/m0/s1
InChIKey LTFXFHBOSXMWFP-JRUYECLLSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ghHtzEm4ug
Name 4.beta.-t-butyl-3a.beta.,4,5,6,7,7a-hexahydro-1h-inden-1-one
CAS Registry Number 108585-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-13(2,3)11-6-4-5-10-9(11)7-8-12(10)14/h7-11H,4-6H2,1-3H3/t9-,10?,11-/m0/s1
InChIKey LTFXFHBOSXMWFP-JRUYECLLSA-N
Molecular Weight 192.302 g/mol
SMILES [C@]12(C=CC(C2CCC[C@@]1(C(C)(C)C)[H])=O)[H]
SPLASH splash10-000i-0900000000-b766be19d69c3cc46991
Source of Spectrum F-42-2828-6
Synonyms (3aR,4S)-4-tert-butyl-3a,4,5,6,7,7a-hexahydro-1H-inden-1-one
Wiley ID 1188963