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3-(methylthio)-1,2,4-triazine-5,6-dicarboxylic acid dimethyl ester
SpectraBase Compound ID L4vbNlRSwi3
InChI InChI=1S/C8H9N3O4S/c1-14-6(12)4-5(7(13)15-2)10-11-8(9-4)16-3/h1-3H3
InChIKey RQZJFGJEUSSVKG-UHFFFAOYSA-N
Mol Weight 243.24 g/mol
Molecular Formula C8H9N3O4S
Exact Mass 243.031377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBCTWBGVjDe
Name 3-(methylthio)-1,2,4-triazine-5,6-dicarboxylic acid dimethyl ester
CAS Registry Number 108005-26-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3O4S
InChI InChI=1S/C8H9N3O4S/c1-14-6(12)4-5(7(13)15-2)10-11-8(9-4)16-3/h1-3H3
InChIKey RQZJFGJEUSSVKG-UHFFFAOYSA-N
Molecular Weight 243.237 g/mol
SMILES c1(c(nnc(n1)SC)C(=O)OC)C(=O)OC
SPLASH splash10-0a4u-0910000000-ef6a9106eed8a5370e2f
Source of Spectrum J-55-3266-3
Synonyms Dimethyl 3-(methylthio)-1,2,4-triazine-5,6-dicarboxylate
Wiley ID 1245776