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3,3,4,5-TETRAMETHYL-1-INDANONE
SpectraBase Compound ID D7Z99anSgeT
InChI InChI=1S/C13H16O/c1-8-5-6-10-11(14)7-13(3,4)12(10)9(8)2/h5-6H,7H2,1-4H3
InChIKey TZODVNMGSHSLCH-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51dMegDGFpT
Name 1H-Inden-1-one, 2,3-dihydro-3,3,4,5-tetramethyl-
Alternate Name(s) 3,3,4,5-Tetramethyl-1-indanone 3,3,4,5-tetramethyl-2H-inden-1-one 3,3,4,5-tetramethylindan-1-one 3,3,4,5-tetramethyl-2,3-dihydro-1H-inden-1-one
CAS Registry Number 56298-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-8-5-6-10-11(14)7-13(3,4)12(10)9(8)2/h5-6H,7H2,1-4H3
InChIKey TZODVNMGSHSLCH-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES Cc1ccc2c(c1C)C(C)(C)CC2=O
SPLASH splash10-00di-3900000000-9acd7b02c7f3ff52d731
Source of Spectrum EP-3986-0-0
Wiley ID 1185106