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3-(2-Methylpropyl)-6-heptyn-2-one
SpectraBase Compound ID 71znTEoIOLy
InChI InChI=1S/C11H18O/c1-5-6-7-11(10(4)12)8-9(2)3/h1,9,11H,6-8H2,2-4H3
InChIKey GOGNGWATYTZUIC-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4agBrKzxjk
Name 3-(2-Methylpropyl)-6-heptyn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-5-6-7-11(10(4)12)8-9(2)3/h1,9,11H,6-8H2,2-4H3
InChIKey GOGNGWATYTZUIC-UHFFFAOYSA-N
Molecular Weight 166.264 g/mol
SMILES C(#C)CCC(C(=O)C)CC(C)C
SPLASH splash10-0hta-9300000000-b2bf3f867b88c066d8c7
Source of Spectrum J-58-1907-33
Synonyms 3-(2-Methylpropyl)hept-6-yn-2-one 3-isobutylhept-6-yn-2-one
Wiley ID 1163182