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3-(2-Thiiranyl)propanenitrile
SpectraBase Compound ID KbDTCKEHPkC
InChI InChI=1S/C5H7NS/c6-3-1-2-5-4-7-5/h5H,1-2,4H2
InChIKey ZAGXORSINWAUSP-UHFFFAOYSA-N
Mol Weight 113.18 g/mol
Molecular Formula C5H7NS
Exact Mass 113.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57ZBLS34kAU
Name 3-(2-Thiiranyl)propanenitrile
CAS Registry Number 54096-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7NS
InChI InChI=1S/C5H7NS/c6-3-1-2-5-4-7-5/h5H,1-2,4H2
InChIKey ZAGXORSINWAUSP-UHFFFAOYSA-N
Molecular Weight 113.178 g/mol
SMILES C1SC1CCC#N
SPLASH splash10-0ikd-9100000000-8764946ea51e4330a36d
Source of Spectrum W-0-888-26
Synonyms 4,5-Epithiovaleronitrile 3-(thiiran-2-yl)propanenitrile 3-(thiiran-2-yl)propionitrile
Wiley ID 754213