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ethyl 5-methyl-1-(2-(phenylselenyl)-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID FQKLi1UZnmw
InChI InChI=1S/C18H18N4O4SSe/c1-3-26-18(23)17-12(2)22(21-20-17)15-10-9-13(27(19,24)25)11-16(15)28-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H2,19,24,25)
InChIKey BMEPJJPXPDFPIH-UHFFFAOYSA-N
Mol Weight 465.4 g/mol
Molecular Formula C18H18N4O4SSe
Exact Mass 466.021398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtwXpJDstOT
Name ethyl 5-methyl-1-(2-(phenylselenyl)-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate
Appearance Yellow solid
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Formula C18H18N4O4SSe
InChI InChI=1S/C18H18N4O4SSe/c1-3-26-18(23)17-12(2)22(21-20-17)15-10-9-13(27(19,24)25)11-16(15)28-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H2,19,24,25)
InChIKey BMEPJJPXPDFPIH-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202100507
Molecular Weight 465.398 g/mol
Reported Formula C18H18N4O4SSe
SMILES NS(c1ccc(c(c1)[Se]c1ccccc1)-[n]1c(c(nn1)C(=O)OCC)C)(=O)=O
SPLASH splash10-0ik9-1349100000-53db266f9563931766f8
Source of Spectrum CMC-17-8-6
Wiley ID 1873306