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(3aR,6aS)-5-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID KPXJpVcwfRb
InChI InChI=1S/C18H12ClFN2O3/c1-9-2-5-11(19)8-13(9)22-17(23)14-15(21-25-16(14)18(22)24)10-3-6-12(20)7-4-10/h2-8,14,16H,1H3
InChIKey KGBVNSDQYJXRPC-UHFFFAOYSA-N
Mol Weight 358.76 g/mol
Molecular Formula C18H12ClFN2O3
Exact Mass 358.052048 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 11r4KamzG8o
Name (3aR,6aS)-5-(5-chloro-2-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/C18H12ClFN2O3/c1-9-2-5-11(19)8-13(9)22-17(23)14-15(21-25-16(14)18(22)24)10-3-6-12(20)7-4-10/h2-8,14,16H,1H3
InChIKey KGBVNSDQYJXRPC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27334
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: D76104; Labnumber: SC_0037-0187; SBI_ID: SBI-027338
Temperature 315 °C