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4-Cyclopentene-1,3-dione, 4-hydroxy-2,2-bis(3-methylbutyl)-5-(2-methyl-1-oxopropyl)-
SpectraBase Compound ID BInBtJOzqZQ
InChI InChI=1S/C19H30O4/c1-11(2)7-9-19(10-8-12(3)4)17(22)14(15(20)13(5)6)16(21)18(19)23/h11-13,21H,7-10H2,1-6H3
InChIKey MBHGLSCZRVNKAV-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTY8BYzjHnU
Name 4-Cyclopentene-1,3-dione, 4-hydroxy-2,2-bis(3-methylbutyl)-5-(2-methyl-1-oxopropyl)-
Alternate Name(s) 4-Hydroxy-5-isobutyryl-2,2-diisopentyl-4-cyclopentene-1,3-dione Tetrahydrocohulupone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-11(2)7-9-19(10-8-12(3)4)17(22)14(15(20)13(5)6)16(21)18(19)23/h11-13,21H,7-10H2,1-6H3
InChIKey MBHGLSCZRVNKAV-UHFFFAOYSA-N
Molecular Weight 322.445 g/mol
SMILES OC1=C(C(C(CCC(C)C)(CCC(C)C)C1=O)=O)C(=O)C(C)C
SPLASH splash10-0gvo-3090000000-84c2a747d956cfd52d83
Source of Spectrum AN-85-302-0
Wiley ID 1321829