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5-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

View entire compound with spectra: 1 NMR

5-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID K7a9sG6fo98
InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)20-8-15(12-5-6-17-18(7-12)35-11-34-17)29-21-9-16(31-32(20)21)22(33)30-23-14(10-28)13-3-1-2-4-19(13)36-23/h5-7,9,15,20,29H,1-4,8,11H2,(H,30,33)
InChIKey AVMDCHAVJVCKIN-UHFFFAOYSA-N
Mol Weight 515.51 g/mol
Molecular Formula C24H20F3N5O3S
Exact Mass 515.123895 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 40Fc9fCmpXc
Name 5-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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/C24H20F3N5O3S/c25-24(26,27)20-8-15(12-5-6-17-18(7-12)35-11-34-17)29-21-9-16(31-32(20)21)22(33)30-23-14(10-28)13-3-1-2-4-19(13)36-23/h5-7,9,15,20,29H,1-4,8,11H2,(H,30,33)
InChIKey AVMDCHAVJVCKIN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10994
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/9080754; UBI_ID: UBI-010997
Temperature 318 °C