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2,4-Cyclohexadien-1-one, 5-(acetyloxy)-2-[bis(acetyloxy)methyl]-6-ethyl-6-methyl-3-(1-methylpropyl)-, (R*,R*)-
SpectraBase Compound ID 1xBuBOEdMx7
InChI InChI=1S/C20H28O7/c1-8-11(3)15-10-16(25-12(4)21)20(7,9-2)18(24)17(15)19(26-13(5)22)27-14(6)23/h10-11,19H,8-9H2,1-7H3
InChIKey NPJQKPHXQYMVCL-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C20H28O7
Exact Mass 380.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11K2wDOIO0H
Name 2,4-Cyclohexadien-1-one, 5-(acetyloxy)-2-[bis(acetyloxy)methyl]-6-ethyl-6-methyl-3-(1-methylpropyl)-, (R*,R*)-
Alternate Name(s) (acetyloxy)[4-(acetyloxy)-2-sec-butyl-5-ethyl-5-methyl-6-oxo-1,3-cyclohexadien-1-yl]methyl acetate 1-Acetoxy-2-hydro-2-ethyl-2-methyl-3-oxo-4-((diacetyloxy)methyl)-5-(1'-methyl-propyl)-benzene
CAS Registry Number 108354-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O7
InChI InChI=1S/C20H28O7/c1-8-11(3)15-10-16(25-12(4)21)20(7,9-2)18(24)17(15)19(26-13(5)22)27-14(6)23/h10-11,19H,8-9H2,1-7H3
InChIKey NPJQKPHXQYMVCL-UHFFFAOYSA-N
Molecular Weight 380.437 g/mol
SMILES C1(=C(C=C(C(C1=O)(CC)C)OC(=O)C)C(CC)C)C(OC(=O)C)OC(=O)C
SPLASH splash10-000i-0091000000-e12966e37210aafe2d19
Source of Spectrum I-65-768-6
Wiley ID 1359682