Debug Info

object
{15}
_id
:
7nUA8qhdBTt
spectrumID
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7nUA8qhdBTt
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:559819:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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2,3-Bis(cyaoethylthio)-6,7-bis(methylthio)tetrathiafulvalene
SpectraBase Compound ID 6xKkrxAvWBu
InChI InChI=1S/C14H14N2S8/c1-17-9-10(18-2)22-13(21-9)14-23-11(19-7-3-5-15)12(24-14)20-8-4-6-16/h3-4,7-8H2,1-2H3
InChIKey SIJGVRHEPUTNJI-UHFFFAOYSA-N
Mol Weight 466.8 g/mol
Molecular Formula C14H14N2S8
Exact Mass 465.892268 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nUA8qhdBTt
Name 2,3-Bis(cyaoethylthio)-6,7-bis(methylthio)tetrathiafulvalene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2S8
InChI InChI=1S/C14H14N2S8/c1-17-9-10(18-2)22-13(21-9)14-23-11(19-7-3-5-15)12(24-14)20-8-4-6-16/h3-4,7-8H2,1-2H3
InChIKey SIJGVRHEPUTNJI-UHFFFAOYSA-N
Molecular Weight 466.760 g/mol
SMILES C1(=C2SC(SC)=C(S2)SC)SC(SCCC#N)=C(S1)SCCC#N
SPLASH splash10-014i-5010900000-4a00a635ec1be78df436
Source of Spectrum SO-0-811-12
Wiley ID 1545150
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