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(E)-4-Methyl-2-[4'-(acetoxy)-2'-butenyl]-cyclohexane-1,3-dione
SpectraBase Compound ID BBSqg9H2V4X
InChI InChI=1S/C13H18O4/c1-10(14)17-9-4-3-8-13(2)11(15)6-5-7-12(13)16/h3-4H,5-9H2,1-2H3/b4-3+
InChIKey FMPJUGGHWJHJHY-ONEGZZNKSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGt1aIDYvGN
Name (E)-4-Methyl-2-[4'-(acetoxy)-2'-butenyl]-cyclohexane-1,3-dione
Alternate Name(s) Acetic acid (E)-4-(1-methyl-2,6-dioxo-cyclohexyl)-but-2-enyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-10(14)17-9-4-3-8-13(2)11(15)6-5-7-12(13)16/h3-4H,5-9H2,1-2H3/b4-3+
InChIKey FMPJUGGHWJHJHY-ONEGZZNKSA-N
Molecular Weight 238.283 g/mol
SMILES C1(C(=O)CCCC1=O)(C\C=C\COC(=O)C)C
SPLASH splash10-002o-9470000000-9541931481e43c66d914
Source of Spectrum C-121-1223-9d
Wiley ID 1700398