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1-Cyclopentene-1-carboxylic acid, 2,4,4-tris(3-methylbutyl)-3,5-dioxo-, phenylmethyl ester
SpectraBase Compound ID D3M4NseKgCz
InChI InChI=1S/C28H40O4/c1-19(2)12-13-23-24(27(31)32-18-22-10-8-7-9-11-22)26(30)28(25(23)29,16-14-20(3)4)17-15-21(5)6/h7-11,19-21H,12-18H2,1-6H3
InChIKey HSIZFYMNLMYFJV-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADOBsX2Tgsb
Name 1-Cyclopentene-1-carboxylic acid, 2,4,4-tris(3-methylbutyl)-3,5-dioxo-, phenylmethyl ester
CAS Registry Number 63832-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-19(2)12-13-23-24(27(31)32-18-22-10-8-7-9-11-22)26(30)28(25(23)29,16-14-20(3)4)17-15-21(5)6/h7-11,19-21H,12-18H2,1-6H3
InChIKey HSIZFYMNLMYFJV-UHFFFAOYSA-N
Molecular Weight 440.624 g/mol
SMILES C1(=C(C(=O)C(C1=O)(CCC(C)C)CCC(C)C)CCC(C)C)C(OCc1ccccc1)=O
SPLASH splash10-01q9-0069200000-4d07ce86a1225601c85b
Source of Spectrum F-33-426-0
Synonyms 2-Benzyloxycarbonyl-3,5,5-tri(3-methylbutyl)-2-cyclopenten-1,4-dione benzyl 2,4,4-triisopentyl-3,5-dioxo-1-cyclopentene-1-carboxylate
Wiley ID 1384843