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5-Benzyl-2,6,6-trimethyl-3-(3-oxopropyl)-5-cyclohexene-1,4-dione
SpectraBase Compound ID 3bhAnmNOkSW
InChI InChI=1S/C20H24O3/c1-13(21)10-11-17-18(22)16(12-15-8-6-5-7-9-15)14(2)19(23)20(17,3)4/h5-9,17H,10-12H2,1-4H3
InChIKey KNOHNOLGQQLRCD-UHFFFAOYSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uUZ4FYSToC
Name 5-Benzyl-2,6,6-trimethyl-3-(3-oxopropyl)-5-cyclohexene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-13(21)10-11-17-18(22)16(12-15-8-6-5-7-9-15)14(2)19(23)20(17,3)4/h5-9,17H,10-12H2,1-4H3
InChIKey KNOHNOLGQQLRCD-UHFFFAOYSA-N
Molecular Weight 312.409 g/mol
SMILES C1(=C(C(=O)C(C(C1=O)CCC(=O)C)(C)C)C)Cc1ccccc1
SPLASH splash10-0006-9001000000-f2f03ba4e0aa5108fa2e
Source of Spectrum F-54-11009-31
Synonyms 3-Benzyl-2,6,6-trimethyl-5-(3-oxobutyl)-5-cyclohexene-1,4-dione
Wiley ID 808809