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3,6-bis(methylthio)-1,2,4-triazine-5-carboxylic acid methyl ester
SpectraBase Compound ID GQJz061VTDa
InChI InChI=1S/C7H9N3O2S2/c1-12-6(11)4-5(13-2)9-10-7(8-4)14-3/h1-3H3
InChIKey NYTKRCBMSRSISE-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C7H9N3O2S2
Exact Mass 231.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZ1BdbrU0MF
Name 3,6-bis(methylthio)-1,2,4-triazine-5-carboxylic acid methyl ester
CAS Registry Number 104310-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O2S2
InChI InChI=1S/C7H9N3O2S2/c1-12-6(11)4-5(13-2)9-10-7(8-4)14-3/h1-3H3
InChIKey NYTKRCBMSRSISE-UHFFFAOYSA-N
Molecular Weight 231.288 g/mol
SMILES c1(nc(SC)nnc1SC)C(=O)OC
SPLASH splash10-001j-9830000000-96fe7f26ec9404d845db
Source of Spectrum Y-22-1332-12
Synonyms Methyl 3,6-bis(methylsulfanyl)-1,2,4-triazine-5-carboxylate
Wiley ID 1232466