Debug Info

object
{15}
_id
:
6WLW7SDwxCS
spectrumID
:
6WLW7SDwxCS
cost
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1
specType
:
131072
xnmrNucleus
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0
dbLocation
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WMS3X:25789:1
hasStructureAssignments
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false
properties
{12}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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4-Cyanothiophenol
SpectraBase Compound ID He4h7slJdU6
InChI InChI=1S/C7H5NS/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
InChIKey MVPUXVBBHWUOFS-UHFFFAOYSA-N
Mol Weight 135.18 g/mol
Molecular Formula C7H5NS
Exact Mass 135.01427 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WLW7SDwxCS
Name 4-Sulfanylbenzonitrile
CAS Registry Number 36801-01-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NS
InChI InChI=1S/C7H5NS/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
InChIKey MVPUXVBBHWUOFS-UHFFFAOYSA-N
Molecular Weight 135.184 g/mol
SMILES Sc1ccc(cc1)C#N
SPLASH splash10-000i-1900000000-8d552a7b021a0b9177c0
Source of Spectrum AN-84-215-0
Synonyms 4-Cyanobenzenethiol 4-Cyanothiophenol 4-Mercaptobenzonitrile 4-Sulfanylbenzenecarbonitrile p-Cyanothiophenol
Wiley ID 1135359
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