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3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(5-chloro-2-methylphenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-, (3aS,6aR)-
SpectraBase Compound ID DwN6fYer0v8
InChI InChI=1S/C17H15ClN4O3/c1-8-4-5-10(18)6-12(8)22-16(23)13-14(20-25-15(13)17(22)24)11-7-21(3)19-9(11)2/h4-7,13,15H,1-3H3
InChIKey QWJNWUDAYXXSQH-UHFFFAOYSA-N
Mol Weight 358.79 g/mol
Molecular Formula C17H15ClN4O3
Exact Mass 358.083268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5BTdhCXWIZZ
Name 3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(5-chloro-2-methylphenyl)-3-(1,3-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/C17H15ClN4O3/c1-8-4-5-10(18)6-12(8)22-16(23)13-14(20-25-15(13)17(22)24)11-7-21(3)19-9(11)2/h4-7,13,15H,1-3H3
InChIKey QWJNWUDAYXXSQH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9690
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: F36134; Labnumber: NNA-V-27277