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3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID IlQgD0oq6Qk
InChI InChI=1S/C25H21BrN2O5/c1-14-8-10-16(11-9-14)27-24(30)20-21(15-12-18(26)22(29)19(13-15)32-2)28(33-23(20)25(27)31)17-6-4-3-5-7-17/h3-13,20-21,23,29H,1-2H3
InChIKey XBBIEGFKVNGMRY-UHFFFAOYSA-N
Mol Weight 509.36 g/mol
Molecular Formula C25H21BrN2O5
Exact Mass 508.063385 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DbTUkUzpjZj
Name 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-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/C25H21BrN2O5/c1-14-8-10-16(11-9-14)27-24(30)20-21(15-12-18(26)22(29)19(13-15)32-2)28(33-23(20)25(27)31)17-6-4-3-5-7-17/h3-13,20-21,23,29H,1-2H3
InChIKey XBBIEGFKVNGMRY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22465
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: D59595; Labnumber: VLM_NM-0809; SBI_ID: SBI-022469
Temperature 318 °C