Debug Info

object
{15}
_id
:
KTVZaQ50cKK
spectrumID
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KTVZaQ50cKK
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:1163:1
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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1735074081058
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false

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Methylisothiocyanate
SpectraBase Compound ID BgPko7CHgnL
InChI InChI=1S/C2H3NS/c1-3-2-4/h1H3
InChIKey LGDSHSYDSCRFAB-UHFFFAOYSA-N
Mol Weight 73.11 g/mol
Molecular Formula C2H3NS
Exact Mass 72.99862 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTVZaQ50cKK
Name Methane, isothiocyanato-
CAS Registry Number 556-61-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C2H3NS
InChI InChI=1S/C2H3NS/c1-3-2-4/h1H3
InChIKey LGDSHSYDSCRFAB-UHFFFAOYSA-N
Molecular Weight 73.113 g/mol
SMILES CN=C=S
SPLASH splash10-00di-9000000000-bf505174fc922cf89887
Source of Spectrum XW-505-0-0
Synonyms (Methylimino)(thioxo)methane Biomet 33 CH3NCS Degussa methyl isothiocyanate EP-161E Isothiocyanate de methyle Isothiocyanatomethane Isothiocyanic acid, methyl ester Isotiocianato de metilo Isotiocianato di metile MENCS Methyl isothiocyanate Methyl mustard Methyl mustard oil Methyl-isothiocyanat Methylimino(sulfanylidene)methane Methylisothiocyanaat Methylisothiokyanat Methylsenfoel Metile isotiocianato MIT MITC Morton EP-161E Trapex Trapex-40 Trapexide Tropex Vorlex (Nor-Am) Vorlex 201 (nor-am) Vortex WN 12 AI3-28257 CASWELL NO. 573 EINECS 209-132-5 EPA PESTICIDE CHEMICAL CODE 068103 HSDB 6396 UN2477
Wiley ID 1114803
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