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Pyridine, 3-nitro-2-[[1-[(3,4,5-trimethoxyphenyl)methyl]-1H-tetrazol-5-yl]thio]-
SpectraBase Compound ID 4BKKUgJsYhX
InChI InChI=1S/C16H16N6O5S/c1-25-12-7-10(8-13(26-2)14(12)27-3)9-21-16(18-19-20-21)28-15-11(22(23)24)5-4-6-17-15/h4-8H,9H2,1-3H3
InChIKey FCTSNGINJUIELJ-UHFFFAOYSA-N
Mol Weight 404.4 g/mol
Molecular Formula C16H16N6O5S
Exact Mass 404.090289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gEvpCpAUBV
Name Pyridine, 3-nitro-2-[[1-[(3,4,5-trimethoxyphenyl)methyl]-1H-tetrazol-5-yl]thio]-
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Formula C16H16N6O5S
InChI InChI=1S/C16H16N6O5S/c1-25-12-7-10(8-13(26-2)14(12)27-3)9-21-16(18-19-20-21)28-15-11(22(23)24)5-4-6-17-15/h4-8H,9H2,1-3H3
InChIKey FCTSNGINJUIELJ-UHFFFAOYSA-N
Molecular Weight 404.401 g/mol
SMILES C([n]1nnnc1Sc1ncccc1[N+]([O-])=O)c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-001i-2920000000-815590f2466c47b3c05f
Source of Spectrum JX-2015-4-51
Synonyms 3-Nitro-2-((1-(3,4,5-trimethoxybenzyl)-1H-tetrazol-5-yl)thio)pyridine 3-Nitro-2-{[1-(3,4,5-trimethoxybenzyl)-1H-tetrazol-5-yl]sulfanyl}pyridine 3-Nitro-2-[[1-[(3,4,5-trimethoxyphenyl)methyl]-5-tetrazolyl]thio]pyridine 3-Nitro-2-[1-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-yl]sulfanylpyridine 3-Nitro-2-[1-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-pyridine 3-Nitro-2-[[1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine
Wiley ID 1725506