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4,5-Dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione

View entire compound with spectra: 1 MS (GC)

4,5-Dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
SpectraBase Compound ID AJMatGY2wkK
InChI InChI=1S/C11H13N3O2S/c1-7-5-11(17)12-9-4-3-8(14(15)16)6-10(9)13(7)2/h3-4,6-7H,5H2,1-2H3,(H,12,17)
InChIKey PCAKWKJEKQWFAW-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C11H13N3O2S
Exact Mass 251.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBiBdhJtWPV
Name 4,5-Dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O2S
InChI InChI=1S/C11H13N3O2S/c1-7-5-11(17)12-9-4-3-8(14(15)16)6-10(9)13(7)2/h3-4,6-7H,5H2,1-2H3,(H,12,17)
InChIKey PCAKWKJEKQWFAW-UHFFFAOYSA-N
Molecular Weight 251.304 g/mol
SMILES N1c2c(N(C(CC1=S)C)C)cc(cc2)N(=O)=O
SPLASH splash10-0ug0-0590000000-7fccb08c2cdc8d6b4560
Source of Spectrum U-1996-131-2
Wiley ID 767897