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4-Thianecarbonitrile

View entire compound with spectra: 1 MS (GC)

4-Thianecarbonitrile
SpectraBase Compound ID 38zfoYRRim9
InChI InChI=1S/C6H9NS/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChIKey DQKVZWAEWJUKAX-UHFFFAOYSA-N
Mol Weight 127.2 g/mol
Molecular Formula C6H9NS
Exact Mass 127.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ibq5XJdMkAf
Name 4-Thianecarbonitrile
Alternate Name(s) Tetrahydro-2H-thiopyran-4-carbonitrile Tetrahydrothiopyran-4-carbonitrile thiane-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NS
InChI InChI=1S/C6H9NS/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChIKey DQKVZWAEWJUKAX-UHFFFAOYSA-N
Molecular Weight 127.205 g/mol
SMILES C(#N)C1CCSCC1
SPLASH splash10-00or-9400000000-941b028235d621c964e2
Source of Spectrum H-80-1543-8
Wiley ID 1130686