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3-Butyn-1-ol
SpectraBase Compound ID QOwNCKYCDt
InChI InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2
InChIKey OTJZCIYGRUNXTP-UHFFFAOYSA-N
Mol Weight 70.09 g/mol
Molecular Formula C4H6O
Exact Mass 70.041865 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HqkBPqyqGwY
Name 3-Butyn-1-ol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 927-74-2
Comments 100 mM 3-butyn-1-ol - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C4 H6 O
IUPAC Name but-3-yn-1-ol
InChI InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2
InChIKey OTJZCIYGRUNXTP-UHFFFAOYSA-N
KEGG Compound ID C06146
KEGG Pathways PATH: ko00650 Butanoate metabolism
PubChem Compound ID 13566
SMILES C#CCCO
Source File Reference bmse000362