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3-[(2,4-Dichlorobenzyl)thio]pyrazine-2-carbonitrile
SpectraBase Compound ID DHXqaplzy3P
InChI InChI=1S/C12H7Cl2N3S/c13-9-2-1-8(10(14)5-9)7-18-12-11(6-15)16-3-4-17-12/h1-5H,7H2
InChIKey HHTDYIKEIIFWLB-UHFFFAOYSA-N
Mol Weight 296.18 g/mol
Molecular Formula C12H7Cl2N3S
Exact Mass 294.973774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B11R8ZznUbg
Name 3-[(2,4-Dichlorobenzyl)thio]pyrazine-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7Cl2N3S
InChI InChI=1S/C12H7Cl2N3S/c13-9-2-1-8(10(14)5-9)7-18-12-11(6-15)16-3-4-17-12/h1-5H,7H2
InChIKey HHTDYIKEIIFWLB-UHFFFAOYSA-N
Molecular Weight 296.175 g/mol
SMILES c1(c(SCc2c(cc(cc2)Cl)Cl)nccn1)C#N
SPLASH splash10-08fr-3930000000-a2b1e638d4e071a96d83
Source of Spectrum AD-0-2532-0
Synonyms 3-[(2,4-Dichlorobenzyl)sulfanyl]-2-pyrazinecarbonitrile 3-[(2,4-Dichlorobenzyl)thio]pyrazinonitrile 3-[(2,4-dichlorophenyl)methylsulfanyl]pyrazine-2-carbonitrile 3-[(2,4-dichlorophenyl)methylthio]-2-pyrazinecarbonitrile
Wiley ID 1427749