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4-[[(E)-2-phenylethenyl]sulfanylmethyl]benzenecarbonitrile
SpectraBase Compound ID BWfrifOXMgz
InChI InChI=1S/C16H13NS/c17-12-15-6-8-16(9-7-15)13-18-11-10-14-4-2-1-3-5-14/h1-11H,13H2/b11-10+
InChIKey CIUKVNVHZALJEE-ZHACJKMWSA-N
Mol Weight 251.35 g/mol
Molecular Formula C16H13NS
Exact Mass 251.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtX6uB7tor9
Name 4-[[(E)-2-phenylethenyl]sulfanylmethyl]benzenecarbonitrile
Alternate Name(s) 4-[[(E)-styryl]sulfanylmethyl]benzonitrile 4-[[[(E)-2-phenylethenyl]thio]methyl]benzonitrile 4-[[[(E)-styryl]thio]methyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NS
InChI InChI=1S/C16H13NS/c17-12-15-6-8-16(9-7-15)13-18-11-10-14-4-2-1-3-5-14/h1-11H,13H2/b11-10+
InChIKey CIUKVNVHZALJEE-ZHACJKMWSA-N
Molecular Weight 251.347 g/mol
SMILES C(#N)c1ccc(cc1)CS\C=C\c1ccccc1
SPLASH splash10-00ku-2910000000-193aa0310f5ff4e72681
Source of Spectrum J-59-2822-3
Wiley ID 1254717