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N,N-Pentamethyleneaminomethyltetrathiafulvalene
SpectraBase Compound ID F1sgi3g7dkJ
InChI InChI=1S/C12H15NS4/c1-2-4-13(5-3-1)8-10-9-16-12(17-10)11-14-6-7-15-11/h6-7,9H,1-5,8H2
InChIKey XACWPECCZHGZKE-UHFFFAOYSA-N
Mol Weight 301.5 g/mol
Molecular Formula C12H15NS4
Exact Mass 301.008734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHB7CF1bqIf
Name N,N-Pentamethyleneaminomethyltetrathiafulvalene
Alternate Name(s) 1-{[2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiol-4-yl]methyl}piperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NS4
InChI InChI=1S/C12H15NS4/c1-2-4-13(5-3-1)8-10-9-16-12(17-10)11-14-6-7-15-11/h6-7,9H,1-5,8H2
InChIKey XACWPECCZHGZKE-UHFFFAOYSA-N
Molecular Weight 301.499 g/mol
SMILES C1(=C2SC=CS2)SC(CN2CCCCC2)=CS1
SPLASH splash10-0002-9101000000-ed8c851ff284d17a084f
Source of Spectrum F-48-3987-4
Wiley ID 1303608