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3,5-Dimethyl-1-hexyn-3-ol
SpectraBase Compound ID 56UuPXC8UVo
InChI InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChIKey NECRQCBKTGZNMH-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxglAmVJk9J
Name 1-Hexyn-3-ol, 3,5-dimethyl-
Alternate Name(s) 3,5-Dimethyl-1-hexyn-3-ol 3,5-Dimethyl-1-hexyne-3-ol 3,5-Dimethylhex-1-yn-3-ol Surfynol Surfynol 61 AI3-23126 EINECS 203-500-9 NSC 978
CAS Registry Number 107-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChIKey NECRQCBKTGZNMH-UHFFFAOYSA-N
Molecular Weight 126.199 g/mol
SMILES OC(C)(CC(C)C)C#C
SPLASH splash10-014i-9000000000-53d1302798c3fad27574
Source of Spectrum HE-1982-0-0
Wiley ID 1130148