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ethyl 2-({[3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-({[3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID JdYSHV0qRW
InChI InChI=1S/C24H22ClF3N4O3S/c1-2-35-23(34)17-13-9-6-10-15(13)36-22(17)30-21(33)19-18(25)20-29-14(12-7-4-3-5-8-12)11-16(24(26,27)28)32(20)31-19/h3-5,7-8,14,16,29H,2,6,9-11H2,1H3,(H,30,33)
InChIKey YQBJYWMLSZWXSL-UHFFFAOYSA-N
Mol Weight 538.97 g/mol
Molecular Formula C24H22ClF3N4O3S
Exact Mass 538.105324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Nqv9wIAv1C
Name ethyl 2-({[3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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/C24H22ClF3N4O3S/c1-2-35-23(34)17-13-9-6-10-15(13)36-22(17)30-21(33)19-18(25)20-29-14(12-7-4-3-5-8-12)11-16(24(26,27)28)32(20)31-19/h3-5,7-8,14,16,29H,2,6,9-11H2,1H3,(H,30,33)
InChIKey YQBJYWMLSZWXSL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12309
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/9100213; UBI_ID: UBI-012312
Temperature 308 °C