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2,7-Dimethyl-3,6-epoxy-2-(1-ethoxy-2-propyn-1-yl)cycloheptan-1-one
SpectraBase Compound ID 4QDZAYjTEsL
InChI InChI=1S/C14H20O3/c1-5-11(16-6-2)14(4)12-8-7-10(17-12)9(3)13(14)15/h1,9-12H,6-8H2,2-4H3
InChIKey CLOMWILLRJUVMD-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZ2fweTaF17
Name 2,7-Dimethyl-3,6-epoxy-2-(1-ethoxy-2-propyn-1-yl)cycloheptan-1-one
Alternate Name(s) 2-(1-Ethoxy-2-propynyl)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
CAS Registry Number 116780-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-5-11(16-6-2)14(4)12-8-7-10(17-12)9(3)13(14)15/h1,9-12H,6-8H2,2-4H3
InChIKey CLOMWILLRJUVMD-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES C1(C(C(C)C2OC1CC2)=O)(C(C#C)OCC)C
SPLASH splash10-001l-9800000000-82943a53b27a62d53b11
Source of Spectrum J-53-5201-11
Wiley ID 1238410