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1-Cyclopentene-1-carboxylic acid, 2,4,4-tris(3-methylbutyl)-3,5-dioxo-, methyl ester
SpectraBase Compound ID Z0tbdipPIa
InChI InChI=1S/C22H36O4/c1-14(2)8-9-17-18(21(25)26-7)20(24)22(19(17)23,12-10-15(3)4)13-11-16(5)6/h14-16H,8-13H2,1-7H3
InChIKey TYXHGSUTDKIURI-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSpMeB7ArDc
Name 1-Cyclopentene-1-carboxylic acid, 2,4,4-tris(3-methylbutyl)-3,5-dioxo-, methyl ester
CAS Registry Number 63832-11-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-14(2)8-9-17-18(21(25)26-7)20(24)22(19(17)23,12-10-15(3)4)13-11-16(5)6/h14-16H,8-13H2,1-7H3
InChIKey TYXHGSUTDKIURI-UHFFFAOYSA-N
Molecular Weight 364.526 g/mol
SMILES C1(=C(C(=O)C(C1=O)(CCC(C)C)CCC(C)C)CCC(C)C)C(=O)OC
SPLASH splash10-03e9-0094000000-1168beb98b822ff9ea85
Source of Spectrum F-33-425-0
Synonyms 2-Methoxycarbonyl-3,5,5-tri(3-methylbutyl)-2-cyclopenten-1,4-dione Methyl 2,4,4-triisopentyl-3,5-dioxo-1-cyclopentene-1-carboxylate
Wiley ID 1351014