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3-Pyridinyl thiocyanate
SpectraBase Compound ID 3SLtwZ8xDYI
InChI InChI=1S/C6H4N2S/c7-5-9-6-2-1-3-8-4-6/h1-4H
InChIKey OYKDNXIKMAQMJG-UHFFFAOYSA-N
Mol Weight 136.17 g/mol
Molecular Formula C6H4N2S
Exact Mass 136.009519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxKVjXSLxTF
Name 3-Pyridinyl thiocyanate
Alternate Name(s) Thiocyanic acid 3-pyridyl ester 3-Thiocyanatopyridine Thiocyanic acid 3-pyridinyl ester 3-Pyridyl thiocyanate Pyridin-3-yl thiocyanate
CAS Registry Number 2645-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4N2S
InChI InChI=1S/C6H4N2S/c7-5-9-6-2-1-3-8-4-6/h1-4H
InChIKey OYKDNXIKMAQMJG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500899
Molecular Weight 136.172 g/mol
SMILES c1ncccc1SC#N
SPLASH splash10-000i-2900000000-3d657b730158b87f22aa
Source of Spectrum ACI-54-5753/SMS11-arb6
Wiley ID 1761219