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2-butyne-1,4-diol bis(3-methoxy-2,4,5-trifluorobenzoate)
SpectraBase Compound ID HwtTa01kh1v
InChI InChI=1S/C20H12F6O6/c1-29-17-13(23)9(7-11(21)15(17)25)19(27)31-5-3-4-6-32-20(28)10-8-12(22)16(26)18(30-2)14(10)24/h7-8H,5-6H2,1-2H3
InChIKey ZKYMJKDDNLKBAG-UHFFFAOYSA-N
Mol Weight 462.3 g/mol
Molecular Formula C20H12F6O6
Exact Mass 462.053807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SSRk8Jo4lM
Name 2-butyne-1,4-diol bis(3-methoxy-2,4,5-trifluorobenzoate)
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12F6O6
InChI InChI=1S/C20H12F6O6/c1-29-17-13(23)9(7-11(21)15(17)25)19(27)31-5-3-4-6-32-20(28)10-8-12(22)16(26)18(30-2)14(10)24/h7-8H,5-6H2,1-2H3
InChIKey ZKYMJKDDNLKBAG-UHFFFAOYSA-N
Instrument Name Hitachi's M80B
Ionization Type EI
Molecular Weight 462.300 g/mol
SMILES C(C#CCOC(c1c(c(c(c(c1)F)F)OC)F)=O)OC(c1c(c(c(c(c1)F)F)OC)F)=O
SPLASH splash10-000i-0900000000-4d786df5d0ebae069a14
Source of Spectrum US20100119955A1
Wiley ID 1842279