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1,3-Cyclohexanedione, 4,6-dichloro-5-methyl-2-[3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan -4-yl)-2-pentenyl]-
SpectraBase Compound ID FQoZ6UZ4o2o
InChI InChI=1S/C20H30Cl2O4/c1-11(8-10-14-19(3,4)26-20(5,6)25-14)7-9-13-17(23)15(21)12(2)16(22)18(13)24/h7,12-16H,8-10H2,1-6H3/b11-7+
InChIKey COPZBVXNMPXQNJ-YRNVUSSQSA-N
Mol Weight 405.36 g/mol
Molecular Formula C20H30Cl2O4
Exact Mass 404.152115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H8Zlm6wx0c
Name 1,3-Cyclohexanedione, 4,6-dichloro-5-methyl-2-[3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan -4-yl)-2-pentenyl]-
CAS Registry Number 83324-71-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30Cl2O4
InChI InChI=1S/C20H30Cl2O4/c1-11(8-10-14-19(3,4)26-20(5,6)25-14)7-9-13-17(23)15(21)12(2)16(22)18(13)24/h7,12-16H,8-10H2,1-6H3/b11-7+
InChIKey COPZBVXNMPXQNJ-YRNVUSSQSA-N
Molecular Weight 405.362 g/mol
SMILES C1(C(C(Cl)C(C(C1=O)Cl)C)=O)C\C=C\(CCC1OC(C)(C)OC1(C)C)C
SPLASH splash10-000f-0009000000-2c41580fe90375747d92
Source of Spectrum F-38-1225-0
Synonyms 4,6-Dichloro-2-[(E)-6',7'-dihydroxy-3',7'-dimethyl-2'-octenyl]-5-methyl-1,3-cyclohexanedione-6',7'-acetonide 4,6-dichloro-5-methyl-2-[(2E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-2-pentenyl]-1,3-cyclohexanedione
Wiley ID 1371167