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Octaethyl [benzo[e,e']di-1,3-dithiacyclohept-2,2'-diylidene)(bismethylene)tetraphosphonate
SpectraBase Compound ID 80D1eRX5PVS
InChI InChI=1S/C30H50O12P4S4/c1-9-35-43(31,36-10-2)27(44(32,37-11-3)38-12-4)29-47-19-23-17-25-21-49-30(50-22-26(25)18-24(23)20-48-29)28(45(33,39-13-5)40-14-6)46(34,41-15-7)42-16-8/h17-18H,9-16,19-22H2,1-8H3
InChIKey PPKBFYYUTJMDTN-UHFFFAOYSA-N
Mol Weight 854.9 g/mol
Molecular Formula C30H50O12P4S4
Exact Mass 854.11356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LalJRvsSZsm
Name Octaethyl [benzo[e,e']di-1,3-dithiacyclohept-2,2'-diylidene)(bismethylene)tetraphosphonate
Comments Less than 3 mono-isotopic peaks
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Formula C30H50O12P4S4
InChI InChI=1S/C30H50O12P4S4/c1-9-35-43(31,36-10-2)27(44(32,37-11-3)38-12-4)29-47-19-23-17-25-21-49-30(50-22-26(25)18-24(23)20-48-29)28(45(33,39-13-5)40-14-6)46(34,41-15-7)42-16-8/h17-18H,9-16,19-22H2,1-8H3
InChIKey PPKBFYYUTJMDTN-UHFFFAOYSA-N
Molecular Weight 854.853 g/mol
SMILES C(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)=C1SCc2cc3CSC(=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC)SCc3cc2CS1
SPLASH splash10-0002-9000000000-b3f7bae1689aa7306092
Source of Spectrum SO-0-1229-6
Wiley ID 1542796