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(3aR,6aS)-5-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID HOxQAJlvGxD
InChI InChI=1S/C19H14ClFN2O4/c1-9-7-13(14(26-2)8-12(9)20)23-18(24)15-16(22-27-17(15)19(23)25)10-3-5-11(21)6-4-10/h3-8,15,17H,1-2H3
InChIKey VRERUZFCPFTSHT-UHFFFAOYSA-N
Mol Weight 388.78 g/mol
Molecular Formula C19H14ClFN2O4
Exact Mass 388.062613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LRILut4UYIY
Name (3aR,6aS)-5-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)-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/C19H14ClFN2O4/c1-9-7-13(14(26-2)8-12(9)20)23-18(24)15-16(22-27-17(15)19(23)25)10-3-5-11(21)6-4-10/h3-8,15,17H,1-2H3
InChIKey VRERUZFCPFTSHT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27335
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: D76105; Labnumber: SC_0037-0188; SBI_ID: SBI-027339
Temperature 315 °C