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

*Links on SpectraBase are not permalinks.
3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-acetylphenyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-, (3aS,6aR)-
SpectraBase Compound ID GFXXOXGEwDP
InChI InChI=1S/C18H16N4O4/c1-9-13(8-19-21(9)3)15-14-16(26-20-15)18(25)22(17(14)24)12-6-4-11(5-7-12)10(2)23/h4-8,14,16H,1-3H3
InChIKey WZWARHVCXKQNFK-UHFFFAOYSA-N
Mol Weight 352.35 g/mol
Molecular Formula C18H16N4O4
Exact Mass 352.117155 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 6qBfhNpZEIN
Name 3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-acetylphenyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-, (3aS,6aR)-
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/C18H16N4O4/c1-9-13(8-19-21(9)3)15-14-16(26-20-15)18(25)22(17(14)24)12-6-4-11(5-7-12)10(2)23/h4-8,14,16H,1-3H3
InChIKey WZWARHVCXKQNFK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6977
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: F28989; Labnumber: NNA-V-27162