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(3aR,6aS)-5-(4-acetylphenyl)-3-(2-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID Aqhjp7Po4PP
InChI InChI=1S/C19H13ClN2O4/c1-10(23)11-6-8-12(9-7-11)22-18(24)15-16(21-26-17(15)19(22)25)13-4-2-3-5-14(13)20/h2-9,15,17H,1H3
InChIKey GZKXYEPXSDABOI-UHFFFAOYSA-N
Mol Weight 368.78 g/mol
Molecular Formula C19H13ClN2O4
Exact Mass 368.056385 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6EEQVwW7wQg
Name (3aR,6aS)-5-(4-acetylphenyl)-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/C19H13ClN2O4/c1-10(23)11-6-8-12(9-7-11)22-18(24)15-16(21-26-17(15)19(22)25)13-4-2-3-5-14(13)20/h2-9,15,17H,1H3
InChIKey GZKXYEPXSDABOI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27304
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: D76067; Labnumber: SC_0037-0148; SBI_ID: SBI-027308
Temperature 315 °C