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Dimethyl 2-[1,4-Bis(methoxycarbonyl)-2-(n-tributylphosphoranyl)but-3-ylidene]dithiole-4,5-dicarboxylate (phosphonium tetrafluoroborate)

View entire compound with spectra: 1 MS (GC)

Dimethyl 2-[1,4-Bis(methoxycarbonyl)-2-(n-tributylphosphoranyl)but-3-ylidene]dithiole-4,5-dicarboxylate (phosphonium tetrafluoroborate)
SpectraBase Compound ID Jl5WVqIgK55
InChI InChI=1S/C25H40O8PS2.BF4/c1-8-11-14-34(15-12-9-2,16-13-10-3)18(22(27)31-5)17(21(26)30-4)25-35-19(23(28)32-6)20(36-25)24(29)33-7;2-1(3,4)5/h18H,8-16H2,1-7H3;/q+1;-1
InChIKey BNDVDCAEGCTRIG-UHFFFAOYSA-N
Mol Weight 650.5 g/mol
Molecular Formula C25H40BF4O8PS2
Exact Mass 650.19314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmvVvgr6M5X
Name Dimethyl 2-[1,4-Bis(methoxycarbonyl)-2-(n-tributylphosphoranyl)but-3-ylidene]dithiole-4,5-dicarboxylate (phosphonium tetrafluoroborate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40BF4O8PS2
InChI InChI=1S/C25H40O8PS2.BF4/c1-8-11-14-34(15-12-9-2,16-13-10-3)18(22(27)31-5)17(21(26)30-4)25-35-19(23(28)32-6)20(36-25)24(29)33-7;2-1(3,4)5/h18H,8-16H2,1-7H3;/q+1;-1
InChIKey BNDVDCAEGCTRIG-UHFFFAOYSA-N
Molecular Weight 650.484 g/mol
SMILES [B-](F)(F)(F)F.C1(=C(SC(S1)=C(C(C(=O)OC)[P+](CCCC)(CCCC)CCCC)C(=O)OC)C(=O)OC)C(=O)OC
SPLASH splash10-0ik9-0569110000-0d226aa6c58d3575578a
Source of Spectrum F-48-8029-14
Synonyms Dimethyl 2-[1,4-Bis(methoxycarbonyl)-2-(n-tributylphosphoranyl)but-3-ylidene]dithiole-4,5-dicarboxylate (phosphoniu tetrafluoroborate)(tetrafluoroborone)
Wiley ID 1407023