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5-Hydroxy-6,6-dimethyl-5-propyloct-3-yn-2-one
SpectraBase Compound ID GbkpGzQPvR0
InChI InChI=1S/C13H22O2/c1-6-9-13(15,10-8-11(3)14)12(4,5)7-2/h15H,6-7,9H2,1-5H3
InChIKey WNNSHMJBSPGHDB-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDx3dUhieca
Name 5-Hydroxy-6,6-dimethyl-5-propyloct-3-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-6-9-13(15,10-8-11(3)14)12(4,5)7-2/h15H,6-7,9H2,1-5H3
InChIKey WNNSHMJBSPGHDB-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES OC(C#CC(C)=O)(C(CC)(C)C)CCC
SPLASH splash10-0006-4900000000-e24ac5597e2c2fa568dc
Source of Spectrum F4-44-2992-23
Synonyms 5-Hydroxy-6,6-dimethyl-5-propyl-3-octyn-2-one 6,6-Dimethyl-5-oxidanyl-5-propyl-oct-3-yn-2-one
Wiley ID 1716910