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N-(2,6-dimethoxybenzoyl)-N'-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]thiourea
SpectraBase Compound ID 2mTpZ9LIhDp
InChI InChI=1S/C21H22F3N3O3S/c1-29-16-6-5-7-17(30-2)18(16)19(28)26-20(31)25-14-12-13(21(22,23)24)8-9-15(14)27-10-3-4-11-27/h5-9,12H,3-4,10-11H2,1-2H3,(H2,25,26,28,31)
InChIKey HUXKZPLVCPCZAU-UHFFFAOYSA-N
Mol Weight 453.48 g/mol
Molecular Formula C21H22F3N3O3S
Exact Mass 453.133397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JAj86WCkDkr
Name N-(2,6-dimethoxybenzoyl)-N'-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]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/C21H22F3N3O3S/c1-29-16-6-5-7-17(30-2)18(16)19(28)26-20(31)25-14-12-13(21(22,23)24)8-9-15(14)27-10-3-4-11-27/h5-9,12H,3-4,10-11H2,1-2H3,(H2,25,26,28,31)
InChIKey HUXKZPLVCPCZAU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30164
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: 1700697; SBI_ID: SBI-030168
Temperature 318 °C