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N-Octadecylaminomethyltetrathiafulvalene
SpectraBase Compound ID KWSck7F3abP
InChI InChI=1S/C25H43NS4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21-23-22-29-25(30-23)24-27-19-20-28-24/h19-20,22,26H,2-18,21H2,1H3
InChIKey DQOXEIPCAOCOKA-UHFFFAOYSA-N
Mol Weight 485.9 g/mol
Molecular Formula C25H43NS4
Exact Mass 485.227835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B3PFNsDVE9
Name N-Octadecylaminomethyltetrathiafulvalene
Alternate Name(s) {[2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiol-4-yl]methyl}(octadecyl)amine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H43NS4
InChI InChI=1S/C25H43NS4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21-23-22-29-25(30-23)24-27-19-20-28-24/h19-20,22,26H,2-18,21H2,1H3
InChIKey DQOXEIPCAOCOKA-UHFFFAOYSA-N
Molecular Weight 485.866 g/mol
SMILES N(CC=1SC(=C2SC=CS2)SC1)CCCCCCCCCCCCCCCCCC
SPLASH splash10-014i-0090400000-129e24d4711801b39a71
Source of Spectrum F-48-3988-8
Wiley ID 1396267