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(3aR,6aS)-5-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID 2a0Q5dkYcT4
InChI InChI=1S/C19H14Cl2N2O4/c1-9-7-13(14(26-2)8-12(9)21)23-18(24)15-16(22-27-17(15)19(23)25)10-5-3-4-6-11(10)20/h3-8,15,17H,1-2H3
InChIKey PSVUSZSIKGCSDQ-UHFFFAOYSA-N
Mol Weight 405.24 g/mol
Molecular Formula C19H14Cl2N2O4
Exact Mass 404.033062 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 503JyHVDZDh
Name (3aR,6aS)-5-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-chlorophenyl)-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/C19H14Cl2N2O4/c1-9-7-13(14(26-2)8-12(9)21)23-18(24)15-16(22-27-17(15)19(23)25)10-5-3-4-6-11(10)20/h3-8,15,17H,1-2H3
InChIKey PSVUSZSIKGCSDQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27318
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: D76084; Labnumber: SC_0037-0165; SBI_ID: SBI-027322
Temperature 315 °C