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1,5-Hexadiyne-3,4-diol, 3,4-dimethyl-, dipropanoate, (R*,R*)-(.+-.)-
SpectraBase Compound ID 5lT6xOAoowc
InChI InChI=1S/C14H18O4/c1-7-11(15)17-13(5,9-3)14(6,10-4)18-12(16)8-2/h3-4H,7-8H2,1-2,5-6H3/t13-,14-/m1/s1
InChIKey NXSYTFSEZQIGAT-ZIAGYGMSSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9B4TbiUIMy
Name 1,5-Hexadiyne-3,4-diol, 3,4-dimethyl-, dipropanoate, (R*,R*)-(.+-.)-
Alternate Name(s) (1R,2R)-1-ethynyl-1,2-dimethyl-2-(propionyloxy)-3-butynyl propionate Mixture of D,L- and meso-3,4-dipropionyloxy-3,4-dimethyl-1,5-hexadiyne
CAS Registry Number 66415-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-7-11(15)17-13(5,9-3)14(6,10-4)18-12(16)8-2/h3-4H,7-8H2,1-2,5-6H3/t13-,14-/m1/s1
InChIKey NXSYTFSEZQIGAT-ZIAGYGMSSA-N
Molecular Weight 250.294 g/mol
SMILES [C@@]([C@@](C#C)(OC(=O)CC)C)(C#C)(OC(=O)CC)C
SPLASH splash10-0a4i-9400000000-10e961596b69844f1e50
Source of Spectrum H-61-274-0
Wiley ID 1253262