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3-thio-6-(3,4,5-trimethoxybenzyl)-as-triazine, 3,5(2H,4H)-dione
SpectraBase Compound ID jPOiAVHEMT
InChI InChI=1S/C13H15N3O4S/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(17)14-13(21)16-15-8/h5-6H,4H2,1-3H3,(H2,14,16,17,21)
InChIKey HQNNAYGMXKUAIH-UHFFFAOYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C13H15N3O4S
Exact Mass 309.078327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RDhsrcKfnx
Name 3-Thioxo-6-(3,4,5-trimethoxybenzyl)-3,4-dihydro-1,2,4-triazin-5(2H)-one
CAS Registry Number 61404-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O4S
InChI InChI=1S/C13H15N3O4S/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(17)14-13(21)16-15-8/h5-6H,4H2,1-3H3,(H2,14,16,17,21)
InChIKey HQNNAYGMXKUAIH-UHFFFAOYSA-N
Molecular Weight 309.340 g/mol
SMILES N1C(NN=C(C1=O)Cc1cc(c(OC)c(c1)OC)OC)=S
SPLASH splash10-0bt9-8933000000-4a28dab0e57874f45a91
Source of Spectrum NP-10-5929-0
Synonyms 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one 3-Thioxo-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one 3-sulfanylidene-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one
Wiley ID 1109017