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N-[1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(3,4-dichlorophenyl)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]thiourea

View entire compound with spectra: 1 NMR

N-[1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(3,4-dichlorophenyl)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]thiourea
SpectraBase Compound ID LNK2pPpBSTH
InChI InChI=1S/C31H28Cl2FN5O3S/c1-2-3-14-42-25-11-9-23(10-12-25)39-29(40)16-28(30(39)41)38(31(43)36-22-8-13-26(32)27(33)15-22)24-17-35-37(19-24)18-20-4-6-21(34)7-5-20/h4-13,15,17,19,28H,2-3,14,16,18H2,1H3,(H,36,43)
InChIKey YPHOLKZNBYHYPH-UHFFFAOYSA-N
Mol Weight 640.56 g/mol
Molecular Formula C31H28Cl2FN5O3S
Exact Mass 639.127395 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FG9oeucBKVX
Name N-[1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(3,4-dichlorophenyl)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]thiourea
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H28Cl2FN5O3S/c1-2-3-14-42-25-11-9-23(10-12-25)39-29(40)16-28(30(39)41)38(31(43)36-22-8-13-26(32)27(33)15-22)24-17-35-37(19-24)18-20-4-6-21(34)7-5-20/h4-13,15,17,19,28H,2-3,14,16,18H2,1H3,(H,36,43)
InChIKey YPHOLKZNBYHYPH-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1317
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9311639; UBI_ID: UBI-001318
Temperature 308 °C