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5-Methyl-1-hexyn-3-ol
SpectraBase Compound ID 8x94qRSoZeg
InChI InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h1,6-8H,5H2,2-3H3
InChIKey NTNUBJHPRAMQPC-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZpthpETey
Name 5-Methyl-1-hexyn-3-ol
CAS Registry Number 61996-79-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h1,6-8H,5H2,2-3H3
InChIKey NTNUBJHPRAMQPC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.201400072
Molecular Weight 112.172 g/mol
SMILES OC(C#C)CC(C)C
SPLASH splash10-0a4i-9000000000-2588445942316636ac98
Source of Spectrum CBD-11-1670-61
Synonyms 5-Methylhex-1-yn-3-ol
Wiley ID 1771349