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7-Chloranyl-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine
SpectraBase Compound ID KOkZEGfvaHB
InChI InChI=1S/C16H14ClN3S/c1-20-16(21-2)18-14-9-8-12(17)10-13(14)15(19-20)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey DWWQYFYFCXEJII-UHFFFAOYSA-N
Mol Weight 315.82 g/mol
Molecular Formula C16H14ClN3S
Exact Mass 315.059696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1egBCimwgAj
Name 7-Chloranyl-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine
CAS Registry Number 70437-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN3S
InChI InChI=1S/C16H14ClN3S/c1-20-16(21-2)18-14-9-8-12(17)10-13(14)15(19-20)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey DWWQYFYFCXEJII-UHFFFAOYSA-N
Molecular Weight 315.822 g/mol
SMILES C1(=NN(C(=Nc2c1cc(cc2)Cl)SC)C)c1ccccc1
SPLASH splash10-02t9-3489000000-a19baf46a267cdedf06a
Source of Spectrum G1-0-0-0
Synonyms 7-Chloro-3-methyl-2-(methylsulfanyl)-5-phenyl-3H-1,3,4-benzotriazepine 7-Chloro-3-methyl-2-(methylthio)-5-phenyl-1,3,4-benzotriazepine 7-Chloro-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine 7-Chloro-3-methyl-2-methylthio-5-phenyl-3H-1,3,4-benzotriazepine
Wiley ID 1315910