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N-[4-[4,5-Dihydro-4-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]-5-oxo-3-pyrrolidino-1H-pyrazol-1-yl]phenyl]-4-(2,4-di-tert-pentylphenoxy)butyramide

View entire compound with spectra: 2 NMR, and 1 FTIR

N-[4-[4,5-Dihydro-4-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]-5-oxo-3-pyrrolidino-1H-pyrazol-1-yl]phenyl]-4-(2,4-di-tert-pentylphenoxy)butyramide
SpectraBase Compound ID JzKoHpGUb8n
InChI InChI=1S/C40H50N8O4S/c1-7-39(3,4)27-13-22-33(32(26-27)40(5,6)8-2)52-25-11-12-34(50)41-28-14-16-29(17-15-28)47-37(51)35(36(43-47)46-23-9-10-24-46)53-38-42-44-45-48(38)30-18-20-31(49)21-19-30/h13-22,26,35,49H,7-12,23-25H2,1-6H3,(H,41,50)
InChIKey CQPXMSQZGVZRIN-UHFFFAOYSA-N
Mol Weight 739.0 g/mol
Molecular Formula C40H50N8O4S
Exact Mass 738.367573 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2VmDS1ylg0C
Name N-[4-[4,5-Dihydro-4-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]-5-oxo-3-pyrrolidino-1H-pyrazol-1-yl]phenyl]-4-(2,4-di-tert-pentylphenoxy)butyramide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 385867
CAS Registry Number 107047-28-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H50N8O4S
InChI InChI=1S/C40H50N8O4S/c1-7-39(3,4)27-13-22-33(32(26-27)40(5,6)8-2)52-25-11-12-34(50)41-28-14-16-29(17-15-28)47-37(51)35(36(43-47)46-23-9-10-24-46)53-38-42-44-45-48(38)30-18-20-31(49)21-19-30/h13-22,26,35,49H,7-12,23-25H2,1-6H3,(H,41,50)
InChIKey CQPXMSQZGVZRIN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 95%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-{4-[4-(2,4-di-tert-Pentylphenoxy)butyramido]phenyl}-3-pyrrolidino-4-[1-(4-hydroxyphenyl)-5-tetrazolyl]thio-2-pyrazolin-5-one
Wiley ID SIAL_1HNMR_008332