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(3aR,6aS)-5-(4-acetylphenyl)-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

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(3aR,6aS)-5-(4-acetylphenyl)-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID C5YTvR6sEfI
InChI InChI=1S/C19H12Cl2N2O4/c1-9(24)10-2-5-12(6-3-10)23-18(25)15-16(22-27-17(15)19(23)26)13-7-4-11(20)8-14(13)21/h2-8,15,17H,1H3
InChIKey BFTUPFFENDEOTF-UHFFFAOYSA-N
Mol Weight 403.22 g/mol
Molecular Formula C19H12Cl2N2O4
Exact Mass 402.017412 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KlTIXsgfUBD
Name (3aR,6aS)-5-(4-acetylphenyl)-3-(2,4-dichlorophenyl)-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/C19H12Cl2N2O4/c1-9(24)10-2-5-12(6-3-10)23-18(25)15-16(22-27-17(15)19(23)26)13-7-4-11(20)8-14(13)21/h2-8,15,17H,1H3
InChIKey BFTUPFFENDEOTF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5754
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: D23392; Labnumber: NNA-1214; SBI_ID: SBI-005757
Temperature 318 °C