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ethyl 2-{[(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 5X9WPW9ZPTW
InChI InChI=1S/C30H26N4O3S/c1-2-37-30(36)27-21-15-9-10-16-25(21)38-29(27)32-28(35)23-18-26-31-22(19-11-5-3-6-12-19)17-24(34(26)33-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,2,9-10,15-16H2,1H3,(H,32,35)
InChIKey CAETYPBVEUWMCA-UHFFFAOYSA-N
Mol Weight 522.62 g/mol
Molecular Formula C30H26N4O3S
Exact Mass 522.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Evvnql9PSw
Name ethyl 2-{[(5,7-diphenylpyrazolo[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/C30H26N4O3S/c1-2-37-30(36)27-21-15-9-10-16-25(21)38-29(27)32-28(35)23-18-26-31-22(19-11-5-3-6-12-19)17-24(34(26)33-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,2,9-10,15-16H2,1H3,(H,32,35)
InChIKey CAETYPBVEUWMCA-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9519
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/8022851; Labnumber: IDV-0003093; UZI_ID: UZI-009521
Temperature 308 °C