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4-CARBOXY-5-METHYL-4',5'-DIPENTYL-TETRATHIAFULVALENE
SpectraBase Compound ID 5mP1qGp9V6s
InChI InChI=1S/C18H26O2S4/c1-4-6-8-10-13-14(11-9-7-5-2)23-18(22-13)17-21-12(3)15(24-17)16(19)20/h4-11H2,1-3H3,(H,19,20)
InChIKey NYAVHOHJRYEHMH-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C18H26O2S4
Exact Mass 402.081565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICO7oxzeIgs
Name 2-(4,5-diamyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O2S4
InChI InChI=1S/C18H26O2S4/c1-4-6-8-10-13-14(11-9-7-5-2)23-18(22-13)17-21-12(3)15(24-17)16(19)20/h4-11H2,1-3H3,(H,19,20)
InChIKey NYAVHOHJRYEHMH-UHFFFAOYSA-N
Molecular Weight 402.644 g/mol
SMILES OC(C=1SC(=C2SC(CCCCC)=C(S2)CCCCC)SC1C)=O
SPLASH splash10-001i-9002200000-b49e04042ca9401e78f1
Source of Spectrum J-66-4522-5
Synonyms 2-(4,5-dipentyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiole-4-carboxylic acid
Wiley ID 1535429