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(3aR,6aS)-5-(2,4-dimethylphenyl)-3-(3-pyridinyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID B0ydbcJKJWQ
InChI InChI=1S/C18H15N3O3/c1-10-5-6-13(11(2)8-10)21-17(22)14-15(12-4-3-7-19-9-12)20-24-16(14)18(21)23/h3-9,14,16H,1-2H3
InChIKey QECXBLNTEYYVAF-UHFFFAOYSA-N
Mol Weight 321.34 g/mol
Molecular Formula C18H15N3O3
Exact Mass 321.111341 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JXZ3vTjjeNw
Name (3aR,6aS)-5-(2,4-dimethylphenyl)-3-(3-pyridinyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
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/C18H15N3O3/c1-10-5-6-13(11(2)8-10)21-17(22)14-15(12-4-3-7-19-9-12)20-24-16(14)18(21)23/h3-9,14,16H,1-2H3
InChIKey QECXBLNTEYYVAF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14222
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: D97344; Labnumber: SC_0037-0206; SBI_ID: SBI-014225
Temperature 318 °C