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isopropyl 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

isopropyl 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 IkWmCgYYBAT
InChI InChI=1S/C23H23N7O5S/c1-12(2)35-23(32)19-13-6-4-5-7-17(13)36-22(19)25-21(31)15-10-18-24-14(8-9-29(18)26-15)20-16(30(33)34)11-28(3)27-20/h8-12H,4-7H2,1-3H3,(H,25,31)
InChIKey AWJDDPAQRYKYRF-UHFFFAOYSA-N
Mol Weight 509.54 g/mol
Molecular Formula C23H23N7O5S
Exact Mass 509.148138 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8K5iotdQuy0
Name isopropyl 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/C23H23N7O5S/c1-12(2)35-23(32)19-13-6-4-5-7-17(13)36-22(19)25-21(31)15-10-18-24-14(8-9-29(18)26-15)20-16(30(33)34)11-28(3)27-20/h8-12H,4-7H2,1-3H3,(H,25,31)
InChIKey AWJDDPAQRYKYRF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32476
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: 1847803; SBI_ID: SBI-032480
Temperature 318 °C