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2-Heptyn-4-one
SpectraBase Compound ID EF4BBhTl3Ce
InChI InChI=1S/C7H10O/c1-3-5-7(8)6-4-2/h3,5H2,1-2H3
InChIKey NGDLDSJVXIMWCH-UHFFFAOYSA-N
Mol Weight 110.16 g/mol
Molecular Formula C7H10O
Exact Mass 110.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6evmpaheER3
Name 2-Heptyn-4-one
CAS Registry Number 71932-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O
InChI InChI=1S/C7H10O/c1-3-5-7(8)6-4-2/h3,5H2,1-2H3
InChIKey NGDLDSJVXIMWCH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol801708x
Molecular Weight 110.156 g/mol
SMILES C(C(CCC)=O)#CC
SPLASH splash10-014i-9000000000-118f51f3b2000ada95c9
Source of Spectrum A1-10-4489/SMS18-12
Synonyms Hept-2-yn-4-one 2-Heptyne-4-one
Wiley ID 1759845