For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-[4-(acetylamino)phenyl]-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID LlEbip5KQJC
InChI InChI=1S/C21H18N6O2S/c1-14(28)25-15-7-9-16(10-8-15)26-19(29)12-30-21-18-11-24-27(20(18)22-13-23-21)17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,25,28)(H,26,29)
InChIKey BRZSXNXVKIRZGQ-UHFFFAOYSA-N
Mol Weight 418.48 g/mol
Molecular Formula C21H18N6O2S
Exact Mass 418.121195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IbLiFHKP6qz
Name N-[4-(acetylamino)phenyl]-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
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/C21H18N6O2S/c1-14(28)25-15-7-9-16(10-8-15)26-19(29)12-30-21-18-11-24-27(20(18)22-13-23-21)17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,25,28)(H,26,29)
InChIKey BRZSXNXVKIRZGQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26167
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: D62059; Labnumber: UDSG-05679; SBI_ID: SBI-026171
Temperature 308 °C