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1-Methyl-2-methylthia-4-phenyl-7-chloro-benzo[f]1,3,4-triazacyclohepta-2,4-diene
SpectraBase Compound ID 9MQr4nPbF7L
InChI InChI=1S/C16H14ClN3S/c1-20-14-9-8-12(17)10-13(14)15(18-19-16(20)21-2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey DNTBTTBLJAMEPA-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 2ysBJEceL6r
Name 1-Methyl-2-methylthia-4-phenyl-7-chloro-benzo[f]1,3,4-triazacyclohepta-2,4-diene
Alternate Name(s) 7-Chloro-1-methyl-2-methylthio-5-phenyl-1H-1,3,4-benzotriazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN3S
InChI InChI=1S/C16H14ClN3S/c1-20-14-9-8-12(17)10-13(14)15(18-19-16(20)21-2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey DNTBTTBLJAMEPA-UHFFFAOYSA-N
Molecular Weight 315.822 g/mol
SMILES c12c(N(C(SC)=NN=C2c2ccccc2)C)ccc(c1)Cl
SPLASH splash10-000i-9131000000-5c6104dcf6ac72d2cb08
Source of Spectrum G1-0-0-0
Wiley ID 1315912