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3,3,5,6-TETRAMETHYL-1-INDANONE
SpectraBase Compound ID 7LQOAOW3cQm
InChI InChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3
InChIKey BXABKFVJTUQBMS-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 7bfWXf7rV2t
Name 1H-Inden-1-one, 2,3-dihydro-3,3,5,6-tetramethyl-
Alternate Name(s) 3,3,5,6-Tetramethyl-1-indanone 3,3,5,6-tetramethyl-2H-inden-1-one 3,3,5,6-tetramethylindan-1-one 3,3,5,6-tetramethyl-2,3-dihydro-1H-inden-1-one
CAS Registry Number 54789-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3
InChIKey BXABKFVJTUQBMS-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES C1(CC(c2cc(c(cc12)C)C)(C)C)=O
SPLASH splash10-00di-0900000000-fb22562ce288b5757f7f
Source of Spectrum JX-2015-6-10364
Wiley ID 1730652