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benzoic acid, 4-[3-cyano-4,7-dihydro-5-methyl-6-[(phenylamino)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl]-
SpectraBase Compound ID E6o4bZMEH4h
InChI InChI=1S/C22H17N5O3/c1-13-18(21(28)26-17-5-3-2-4-6-17)19(14-7-9-15(10-8-14)22(29)30)27-20(25-13)16(11-23)12-24-27/h2-10,12,19,25H,1H3,(H,26,28)(H,29,30)
InChIKey VHYGMDJJVBEIIE-UHFFFAOYSA-N
Mol Weight 399.41 g/mol
Molecular Formula C22H17N5O3
Exact Mass 399.133139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lHrSGyWwWK
Name benzoic acid, 4-[3-cyano-4,7-dihydro-5-methyl-6-[(phenylamino)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl]-
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/C22H17N5O3/c1-13-18(21(28)26-17-5-3-2-4-6-17)19(14-7-9-15(10-8-14)22(29)30)27-20(25-13)16(11-23)12-24-27/h2-10,12,19,25H,1H3,(H,26,28)(H,29,30)
InChIKey VHYGMDJJVBEIIE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4758
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: F23092; Labnumber: Rud-S1648-0035