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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]methyl]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]methyl]-
SpectraBase Compound ID Hqi1P6tEKRB
InChI InChI=1S/C20H26N6O4S/c1-19(2,3)11-7-10(8-12(15(11)27)20(4,5)6)31-9-13-14(18(28)29)22-25-26(13)17-16(21)23-30-24-17/h7-8,27H,9H2,1-6H3,(H2,21,23)(H,28,29)
InChIKey QJTFIFNCUCYNRB-UHFFFAOYSA-N
Mol Weight 446.53 g/mol
Molecular Formula C20H26N6O4S
Exact Mass 446.173625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FI1smT1WZOK
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylmethyl]triazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N6O4S
InChI InChI=1S/C20H26N6O4S/c1-19(2,3)11-7-10(8-12(15(11)27)20(4,5)6)31-9-13-14(18(28)29)22-25-26(13)17-16(21)23-30-24-17/h7-8,27H,9H2,1-6H3,(H2,21,23)(H,28,29)
InChIKey QJTFIFNCUCYNRB-UHFFFAOYSA-N
Molecular Weight 446.526 g/mol
SMILES Oc1c(cc(SCc2c(C(=O)O)nn[n]2-c2c(non2)N)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0pbi-7950200000-8902692b0fb207c90b33
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]methyl]-4-triazolecarboxylic acid 1-(4-aminofurazan-3-yl)-5-[[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]methyl]triazole-4-carboxylic acid 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylic acid
Wiley ID 1461241