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1-Hexyn-3-ol, 3-methyl-
SpectraBase Compound ID CWQfNHm4uaY
InChI InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h2,8H,4,6H2,1,3H3
InChIKey DTGUZRPEDLHAAO-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 B0tld4vU4hc
Name 1-Hexyn-3-ol, 3-methyl-
Alternate Name(s) 3-Methyl-1-hexyn-3-ol 3-Methyl-1-hexyne-3-ol 3-Methyl-hexin-(1)-ol-(3) 3-Methylhex-1-yn-3-ol Ethynylmethylpropylcarbinol Methylpropylethynylcarbinol BRN 1740424 NSC 9470
CAS Registry Number 4339-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h2,8H,4,6H2,1,3H3
InChIKey DTGUZRPEDLHAAO-UHFFFAOYSA-N
Molecular Weight 112.172 g/mol
SMILES OC(C)(CCC)C#C
SPLASH splash10-014l-9000000000-b12a76d677fa0a329eb0
Source of Spectrum W5-0-0-0
Wiley ID 1123389