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1,5-Hexadiyne-3,4-diol, 3,4-dimethyl-, monoacetate, (R*,S*)-
SpectraBase Compound ID DN7g75kE8Nq
InChI InChI=1S/C10H12O3/c1-6-9(4,12)10(5,7-2)13-8(3)11/h1-2,12H,3-5H3/t9-,10+/m0/s1
InChIKey UKBPMMGYYXJDIU-VHSXEESVSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsSH4BD54yd
Name 1,5-Hexadiyne-3,4-diol, 3,4-dimethyl-, monoacetate, (R*,S*)-
CAS Registry Number 66415-11-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-6-9(4,12)10(5,7-2)13-8(3)11/h1-2,12H,3-5H3/t9-,10+/m0/s1
InChIKey UKBPMMGYYXJDIU-VHSXEESVSA-N
Molecular Weight 180.203 g/mol
SMILES O[C@@](C#C)([C@@](C#C)(OC(=O)C)C)C
SPLASH splash10-0006-9000000000-dac23ae624c10d1054dc
Source of Spectrum H-61-274-0
Synonyms (1R,2S)-1-ethynyl-2-hydroxy-1,2-dimethyl-3-butynyl acetate Erythro-and threo-3-acetoxy-3,4-dimethyl-1,5-hexadiyn-4-ol
Wiley ID 1176070