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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

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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
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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IHeAgEqIaY
Name 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
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.204924640 u
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
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14129
Solvent DMSO-d6
Source Vendor ID: NMR/10310485; Lab Info: VUR; Lab Number: VUR-0002312