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2,3,6,7-Tetrakis(3-chloropropylthio)tetrathiafulvalene
SpectraBase Compound ID A00VS4g1KIw
InChI InChI=1S/C18H24Cl4S8/c19-5-1-9-23-13-14(24-10-2-6-20)28-17(27-13)18-29-15(25-11-3-7-21)16(30-18)26-12-4-8-22/h1-12H2
InChIKey NPPRMCDQJCGSRC-UHFFFAOYSA-N
Mol Weight 638.7 g/mol
Molecular Formula C18H24Cl4S8
Exact Mass 635.839781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQQi9rNgKTT
Name 2,3,6,7-Tetrakis(3-chloropropylthio)tetrathiafulvalene
Alternate Name(s) 2-{4,5-bis[(3-chloropropyl)sulfanyl]-2H-1,3-dithiol-2-ylidene}-4,5-bis[(3-chloropropyl)sulfanyl]-2H-1,3-dithiole
Comments Less than 3 mono-isotopic peaks
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Formula C18H24Cl4S8
InChI InChI=1S/C18H24Cl4S8/c19-5-1-9-23-13-14(24-10-2-6-20)28-17(27-13)18-29-15(25-11-3-7-21)16(30-18)26-12-4-8-22/h1-12H2
InChIKey NPPRMCDQJCGSRC-UHFFFAOYSA-N
Molecular Weight 638.682 g/mol
SMILES C1(=C2SC(SCCCCl)=C(S2)SCCCCl)SC(SCCCCl)=C(S1)SCCCCl
SPLASH splash10-000i-0000009000-d1f6d9104f22befe1011
Source of Spectrum SO-0-525-10
Wiley ID 1545638