Debug Info

object
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_id
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81UyO5lMG7e
spectrumID
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81UyO5lMG7e
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2-(Allylthio)acetonitrile
SpectraBase Compound ID HQ5UsehrqaM
InChI InChI=1S/C5H7NS/c1-2-4-7-5-3-6/h2H,1,4-5H2
InChIKey JXLPNWOZGBULRU-UHFFFAOYSA-N
Mol Weight 113.18 g/mol
Molecular Formula C5H7NS
Exact Mass 113.02992 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81UyO5lMG7e
Name (Allylsulfanyl)acetonitrile
CAS Registry Number 105643-80-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7NS
InChI InChI=1S/C5H7NS/c1-2-4-7-5-3-6/h2H,1,4-5H2
InChIKey JXLPNWOZGBULRU-UHFFFAOYSA-N
Molecular Weight 113.178 g/mol
SMILES C=CCSCC#N
SPLASH splash10-0006-9100000000-71ef5dad565ea840d3d1
Source of Spectrum C-116-2013-9
Synonyms 2-(Allylthio)acetonitrile 2-(prop-2-enylthio)acetonitrile 2-Allylsulfanylacetonitrile 2-Prop-2-enylsulfanylacetonitrile 2-Prop-2-enylsulfanylethanenitrile 2-Propenylthioacetonitrile CH2=CHCH2SCH2CN
Wiley ID 1123863
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