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ethyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID ERuLzf1f0dz
InChI InChI=1S/C27H25F3N4O4S/c1-3-38-26(36)23-17-7-5-4-6-8-20(17)39-25(23)32-24(35)19-14-22-31-18(15-9-11-16(37-2)12-10-15)13-21(27(28,29)30)34(22)33-19/h9-14H,3-8H2,1-2H3,(H,32,35)
InChIKey SDSGMWANDCBZQT-UHFFFAOYSA-N
Mol Weight 558.58 g/mol
Molecular Formula C27H25F3N4O4S
Exact Mass 558.154861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3yuWL5ZVbGM
Name ethyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[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/C27H25F3N4O4S/c1-3-38-26(36)23-17-7-5-4-6-8-20(17)39-25(23)32-24(35)19-14-22-31-18(15-9-11-16(37-2)12-10-15)13-21(27(28,29)30)34(22)33-19/h9-14H,3-8H2,1-2H3,(H,32,35)
InChIKey SDSGMWANDCBZQT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2303
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/8050177; UBI_ID: UBI-002304
Temperature 308 °C