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Methyl 3-oxo-2-(prop-2-ynyl)hexanoate
SpectraBase Compound ID IawBXE40FNk
InChI InChI=1S/C10H14O3/c1-4-6-8(10(12)13-3)9(11)7-5-2/h1,8H,5-7H2,2-3H3
InChIKey QPOAAWAJWOWDTQ-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9FtssqLIrh
Name Methyl 3-oxo-2-(prop-2-ynyl)hexanoate
Alternate Name(s) Methyl 3-oxo-2-(prop-2-yn-1-yl)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-4-6-8(10(12)13-3)9(11)7-5-2/h1,8H,5-7H2,2-3H3
InChIKey QPOAAWAJWOWDTQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000005
Molecular Weight 182.219 g/mol
SMILES COC(C(CC#C)C(=O)CCC)=O
SPLASH splash10-006x-9000000000-a73f3731d9aec8f2da4a
Source of Spectrum ASC-352-1163/SM2-2b
Wiley ID 1764422