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(1-benzyl-5-cyano-4H-pyridin-3-yl) thiocyanate

View entire compound with spectra: 1 MS (GC)

(1-benzyl-5-cyano-4H-pyridin-3-yl) thiocyanate
SpectraBase Compound ID HswHElBPfjM
InChI InChI=1S/C14H11N3S/c15-7-13-6-14(18-11-16)10-17(9-13)8-12-4-2-1-3-5-12/h1-5,9-10H,6,8H2
InChIKey VYOOWGBLTIHSOF-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C14H11N3S
Exact Mass 253.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PtkdEpXj9C
Name (1-benzyl-5-cyano-4H-pyridin-3-yl) thiocyanate
Alternate Name(s) thiocyanic acid (1-benzyl-5-cyano-4H-pyridin-3-yl) ester thiocyanic acid [5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl] ester
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Formula C14H11N3S
InChI InChI=1S/C14H11N3S/c15-7-13-6-14(18-11-16)10-17(9-13)8-12-4-2-1-3-5-12/h1-5,9-10H,6,8H2
InChIKey VYOOWGBLTIHSOF-UHFFFAOYSA-N
Molecular Weight 253.323 g/mol
SMILES C=1N(C=C(CC1C#N)SC#N)Cc1ccccc1
SPLASH splash10-0006-9000000000-f9f15d157e80728f8f1f
Source of Spectrum QE-6-1770-16
Wiley ID 844803