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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]-, ethyl ester

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]-, ethyl ester
SpectraBase Compound ID 55hY30jVaxh
InChI InChI=1S/C22H30N6O4S/c1-8-31-20(30)16-15(28(27-24-16)19-18(23)25-32-26-19)11-33-12-9-13(21(2,3)4)17(29)14(10-12)22(5,6)7/h9-10,29H,8,11H2,1-7H3,(H2,23,25)
InChIKey NUHSPBXSSKBXJO-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C22H30N6O4S
Exact Mass 474.204925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13M7XXtzzMu
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]methyl]-4-triazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N6O4S
InChI InChI=1S/C22H30N6O4S/c1-8-31-20(30)16-15(28(27-24-16)19-18(23)25-32-26-19)11-33-12-9-13(21(2,3)4)17(29)14(10-12)22(5,6)7/h9-10,29H,8,11H2,1-7H3,(H2,23,25)
InChIKey NUHSPBXSSKBXJO-UHFFFAOYSA-N
Molecular Weight 474.580 g/mol
SMILES Nc1c(-[n]2c(CSc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)c(nn2)C(=O)OCC)non1
SPLASH splash10-05g0-6960300000-d8fbdb822248725ee779
Synonyms 1-(4-aminofurazan-3-yl)-5-[[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylmethyl]triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1461240