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ethyl 2-({[5-(1-methyl-4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-({[5-(1-methyl-4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID LKo5E28aqvM
InChI InChI=1S/C22H21N7O5S/c1-3-34-22(31)18-12-6-4-5-7-16(12)35-21(18)24-20(30)14-10-17-23-13(8-9-28(17)25-14)19-15(29(32)33)11-27(2)26-19/h8-11H,3-7H2,1-2H3,(H,24,30)
InChIKey OTFQEJBKMNRWLV-UHFFFAOYSA-N
Mol Weight 495.51 g/mol
Molecular Formula C22H21N7O5S
Exact Mass 495.132488 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5WFJ4ehm8F8
Name ethyl 2-({[5-(1-methyl-4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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/C22H21N7O5S/c1-3-34-22(31)18-12-6-4-5-7-16(12)35-21(18)24-20(30)14-10-17-23-13(8-9-28(17)25-14)19-15(29(32)33)11-27(2)26-19/h8-11H,3-7H2,1-2H3,(H,24,30)
InChIKey OTFQEJBKMNRWLV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32282
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: 1847436; SBI_ID: SBI-032286
Temperature 308 °C