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1-Phenyl-3,5-dimethyl-7-thioxo-6,7(8H)-dihydropyrazolo(3,4-b)(1,4)diazepine

View entire compound with spectra: 1 MS (GC)

1-Phenyl-3,5-dimethyl-7-thioxo-6,7(8H)-dihydropyrazolo(3,4-b)(1,4)diazepine
SpectraBase Compound ID 62xpft12ZZ
InChI InChI=1S/C14H14N4S/c1-9-8-12(19)16-14-13(15-9)10(2)17-18(14)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,19)
InChIKey MHMULGZRVIBORN-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C14H14N4S
Exact Mass 270.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pnLYYpC0KW
Name 1-Phenyl-3,5-dimethyl-7-thioxo-6,7(8H)-dihydropyrazolo(3,4-b)(1,4)diazepine
Alternate Name(s) 3,5-Dimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b][1,4]diazepine-7(1H)-thione
CAS Registry Number 64891-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4S
InChI InChI=1S/C14H14N4S/c1-9-8-12(19)16-14-13(15-9)10(2)17-18(14)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,19)
InChIKey MHMULGZRVIBORN-UHFFFAOYSA-N
Molecular Weight 270.354 g/mol
SMILES N1C(CC(=Nc2c1[n](nc2C)-c1ccccc1)C)=S
SPLASH splash10-01tc-9220000000-cca912eef14b78b598dd
Source of Spectrum O-12-143-1
Wiley ID 1273986