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Dimethyl 2-[4',5'-bis(trifluoromethyl)-1',3'-dithiol-2'-ylidene )-3-(triphenylphosphoranylidene) succinate
SpectraBase Compound ID 50M15DVPti2
InChI InChI=1S/C29H21F6O4PS2/c1-38-25(36)21(27-41-23(28(30,31)32)24(42-27)29(33,34)35)22(26(37)39-2)40(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKey WDZDOFAFKUWZIL-UHFFFAOYSA-N
Mol Weight 642.57 g/mol
Molecular Formula C29H21F6O4PS2
Exact Mass 642.052307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9niA802Trdl
Name Dimethyl 2-[4',5'-bis(trifluoromethyl)-1',3'-dithiol-2'-ylidene )-3-(triphenylphosphoranylidene) succinate
Comments Less than 3 mono-isotopic peaks
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Formula C29H21F6O4PS2
InChI InChI=1S/C29H21F6O4PS2/c1-38-25(36)21(27-41-23(28(30,31)32)24(42-27)29(33,34)35)22(26(37)39-2)40(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKey WDZDOFAFKUWZIL-UHFFFAOYSA-N
Molecular Weight 642.567 g/mol
SMILES C1(=C(SC(S1)=C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC)C(F)(F)F)C(F)(F)F
SPLASH splash10-0006-0000009000-37acf23b084548a6c837
Source of Spectrum K-126-2118-20
Synonyms dimethyl 2-[4,5-bis(trifluoromethyl)-1,3-dithiol-2-ylidene]-3-(triphenylphosphoranylidene)succinate
Wiley ID 1412706