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1,3-Cyclopentanedione, 2-(4-methoxy-2-methyl-2-butenyl)-2-methyl-
SpectraBase Compound ID 15ZshHDA0Ob
InChI InChI=1S/C12H18O3/c1-9(6-7-15-3)8-12(2)10(13)4-5-11(12)14/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKey LJCZYOUPHIELRN-RMKNXTFCSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ehff7zumx8H
Name 1,3-Cyclopentanedione, 2-(4-methoxy-2-methyl-2-butenyl)-2-methyl-
Alternate Name(s) 2-Methyl-2-(2-methyl-4-methoxy-3-butenyl)cyclopentane-1,3-dione 2-[(2E)-4-methoxy-2-methyl-2-butenyl]-2-methyl-1,3-cyclopentanedione
CAS Registry Number 113893-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-9(6-7-15-3)8-12(2)10(13)4-5-11(12)14/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKey LJCZYOUPHIELRN-RMKNXTFCSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(CCC1=O)=O)(C\C(=C\COC)C)C
SPLASH splash10-0002-9100000000-5551173c4d0fb12d3456
Source of Spectrum J-53-2532-22
Wiley ID 1209250