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4H-Inden-4-one, 1,2,3,3a,7,7a-hexahydro-3a,6,7,7a-tetramethyl-
SpectraBase Compound ID J7XxaSwqWCB
InChI InChI=1S/C13H20O/c1-9-8-11(14)13(4)7-5-6-12(13,3)10(9)2/h8,10H,5-7H2,1-4H3/t10?,12-,13+/m0/s1
InChIKey KZVLKIAVVJWPHM-HEVMSJOKSA-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 8UmlCCWeig0
Name 4H-Inden-4-one, 1,2,3,3a,7,7a-hexahydro-3a,6,7,7a-tetramethyl-
Alternate Name(s) (3aS,7aS)-3a,6,7,7a-tetramethyl-1,2,3,3a,7,7a-hexahydro-4H-inden-4-one 3a.beta.,6,7,7a.beta.-tetramethyl-1,2,3,3a,7,7a-hexahydroinden-4-one
CAS Registry Number 121944-66-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-9-8-11(14)13(4)7-5-6-12(13,3)10(9)2/h8,10H,5-7H2,1-4H3/t10?,12-,13+/m0/s1
InChIKey KZVLKIAVVJWPHM-HEVMSJOKSA-N
Molecular Weight 192.302 g/mol
SMILES [C@@]12([C@@](C(=O)C=C(C2C)C)(CCC1)C)C
SPLASH splash10-0002-9100000000-931f90237252ccc02d63
Source of Spectrum F-44-4843-2
Wiley ID 1188972