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3-Isobutoxy-2-methyl-5-(2-propynyl)-2-cyclopenten-1-one
SpectraBase Compound ID HKw8OjyM3y0
InChI InChI=1S/C13H18O2/c1-5-6-11-7-12(10(4)13(11)14)15-8-9(2)3/h1,9,11H,6-8H2,2-4H3
InChIKey AQYXUGMUNJVZPJ-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AybMhPytZV
Name 3-Isobutoxy-2-methyl-5-(2-propynyl)-2-cyclopenten-1-one
Alternate Name(s) 2-Methyl-3-(2-methylpropoxy)-5-prop-2-ynyl-1-cyclopent-2-enone 2-Methyl-3-(2-methylpropoxy)-5-prop-2-ynyl-cyclopent-2-en-1-one 2-Methyl-3-isobutoxy-5-propargylcyclopent-2-en-1-one 3-isobutoxy-2-methyl-5-prop-2-ynyl-cyclopent-2-en-1-one 3-isobutoxy-2-methyl-5-propargyl-cyclopent-2-en-1-one
CAS Registry Number 117780-93-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-5-6-11-7-12(10(4)13(11)14)15-8-9(2)3/h1,9,11H,6-8H2,2-4H3
InChIKey AQYXUGMUNJVZPJ-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C=1(C(C(CC1OCC(C)C)CC#C)=O)C
SPLASH splash10-0a4l-9200000000-f2231c08a7544d4f08e7
Source of Spectrum AD-0-2532-0
Wiley ID 1428346