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2-Propyl-5-hexynoic Acid
SpectraBase Compound ID OfKInisb5J
InChI InChI=1S/C9H14O2/c1-3-5-7-8(6-4-2)9(10)11/h1,8H,4-7H2,2H3,(H,10,11)
InChIKey JMBXDZXCEQWXSS-UHFFFAOYSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSgIa0OROAb
Name 2-Propyl-5-hexynoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-3-5-7-8(6-4-2)9(10)11/h1,8H,4-7H2,2H3,(H,10,11)
InChIKey JMBXDZXCEQWXSS-UHFFFAOYSA-N
Molecular Weight 154.209 g/mol
SMILES OC(=O)C(CCC#C)CCC
SPLASH splash10-000i-9500000000-b4de177e270769cf55ad
Source of Spectrum J-58-1907-34
Wiley ID 1151421