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(3aR,6aS)-3-(2,4-dichlorophenyl)-5-(2-naphthyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID BgjP1CATngP
InChI InChI=1S/C21H12Cl2N2O3/c22-13-6-8-15(16(23)10-13)18-17-19(28-24-18)21(27)25(20(17)26)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,17,19H
InChIKey IQKUNDRVXZTMDX-UHFFFAOYSA-N
Mol Weight 411.24 g/mol
Molecular Formula C21H12Cl2N2O3
Exact Mass 410.022498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CVKkxoHafmf
Name (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(2-naphthyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H12Cl2N2O3/c22-13-6-8-15(16(23)10-13)18-17-19(28-24-18)21(27)25(20(17)26)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,17,19H
InChIKey IQKUNDRVXZTMDX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6142
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: D13550; Labnumber: NNA-1204; SBI_ID: SBI-006145
Temperature 308 °C