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3-chloro-5-(3,4-dimethoxyphenyl)-2-(4-thiomorpholinylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

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3-chloro-5-(3,4-dimethoxyphenyl)-2-(4-thiomorpholinylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 4Ag8R2l9sSJ
InChI InChI=1S/C20H22ClF3N4O3S/c1-30-13-4-3-11(9-14(13)31-2)12-10-15(20(22,23)24)28-18(25-12)16(21)17(26-28)19(29)27-5-7-32-8-6-27/h3-4,9,12,15,25H,5-8,10H2,1-2H3
InChIKey MWAZCAQGTUFNDI-UHFFFAOYSA-N
Mol Weight 490.93 g/mol
Molecular Formula C20H22ClF3N4O3S
Exact Mass 490.105324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CLZDKd7JO2k
Name 3-chloro-5-(3,4-dimethoxyphenyl)-2-(4-thiomorpholinylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
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/C20H22ClF3N4O3S/c1-30-13-4-3-11(9-14(13)31-2)12-10-15(20(22,23)24)28-18(25-12)16(21)17(26-28)19(29)27-5-7-32-8-6-27/h3-4,9,12,15,25H,5-8,10H2,1-2H3
InChIKey MWAZCAQGTUFNDI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10967
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: UZI/9078933; UBI_ID: UBI-010970
Temperature 318 °C