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3-(3-Methylbutyl)-6-heptyn-2-one
SpectraBase Compound ID JYwXMBc3ZfN
InChI InChI=1S/C12H20O/c1-5-6-7-12(11(4)13)9-8-10(2)3/h1,10,12H,6-9H2,2-4H3
InChIKey OZFJCPFMRSYYMC-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7enNCdr6cgF
Name 3-(3-Methylbutyl)-6-heptyn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-5-6-7-12(11(4)13)9-8-10(2)3/h1,10,12H,6-9H2,2-4H3
InChIKey OZFJCPFMRSYYMC-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C(#C)CCC(C(=O)C)CCC(C)C
SPLASH splash10-03ik-8900000000-a3f4cd03a2580b7e39f8
Source of Spectrum J-58-1907-33
Synonyms 3-(3-Methylbutyl)hept-6-yn-2-one 3-isoamylhept-6-yn-2-one 3-isopentylhept-6-yn-2-one
Wiley ID 1176990