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Trimethylene bis[(2'-fluorobenzoyl)carbamodithioate]
SpectraBase Compound ID 60pa2uE9Ks7
InChI InChI=1S/C19H16F2N2O2S4/c20-14-8-3-1-6-12(14)16(24)22-18(26)28-10-5-11-29-19(27)23-17(25)13-7-2-4-9-15(13)21/h1-4,6-9H,5,10-11H2,(H,22,24,26)(H,23,25,27)
InChIKey MAYULPUAYNWQQU-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C19H16F2N2O2S4
Exact Mass 470.006269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ia5YdqjqGY
Name Trimethylene bis[(2'-fluorobenzoyl)carbamodithioate]
Alternate Name(s) N-[(2-fluorophenyl)-oxomethyl]carbamodithioic acid 3-[[[[(2-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]thio]propyl ester 3-[(2-fluorobenzoyl)carbamothioylsulfanyl]propyl N-(2-fluorobenzoyl)carbamodithioate 3-[(2-fluorophenyl)carbonylcarbamothioylsulfanyl]propyl N-(2-fluorophenyl)carbonylcarbamodithioate
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Formula C19H16F2N2O2S4
InChI InChI=1S/C19H16F2N2O2S4/c20-14-8-3-1-6-12(14)16(24)22-18(26)28-10-5-11-29-19(27)23-17(25)13-7-2-4-9-15(13)21/h1-4,6-9H,5,10-11H2,(H,22,24,26)(H,23,25,27)
InChIKey MAYULPUAYNWQQU-UHFFFAOYSA-N
Molecular Weight 470.586 g/mol
SMILES N(C(c1c(F)cccc1)=O)C(SCCCSC(NC(c1c(F)cccc1)=O)=S)=S
SPLASH splash10-0aba-5923000000-91fbf643df6fb110dcdb
Source of Spectrum AH-140-1203-5a
Wiley ID 1714690