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2,7-Dimethyl-5-thioxo-2,4,5,6-tetrahydro-3H-1,2,4-triazepin-3-one
SpectraBase Compound ID GrcdLbHUkEM
InChI InChI=1S/C6H9N3OS/c1-4-3-5(11)7-6(10)9(2)8-4/h3H2,1-2H3,(H,7,10,11)
InChIKey OYHVEYZHZKBYER-UHFFFAOYSA-N
Mol Weight 171.22 g/mol
Molecular Formula C6H9N3OS
Exact Mass 171.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vNgc2Cwdf9
Name 2,7-Dimethyl-5-thioxo-2,4,5,6-tetrahydro-3H-1,2,4-triazepin-3-one
Alternate Name(s) 2,7-Dimethyl-3-oxo-5-thioxo-3,4,5,6(2H)-tetrahydro-1,2,4-triazepine 2,7-Dimethyl-5-sulfanylidene-6H-1,2,4-triazepin-3-one 2,7-Dimethyl-5-thioxo-6H-1,2,4-triazepin-3-one
CAS Registry Number 66425-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9N3OS
InChI InChI=1S/C6H9N3OS/c1-4-3-5(11)7-6(10)9(2)8-4/h3H2,1-2H3,(H,7,10,11)
InChIKey OYHVEYZHZKBYER-UHFFFAOYSA-N
Molecular Weight 171.218 g/mol
SMILES SC=1CC(=NN(C(N1)=O)C)C
SPLASH splash10-002f-9700000000-eb0b7d76c4ccea3cede7
Source of Spectrum O-13-359-1
Wiley ID 1167726