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4-[5-(3-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]phenyl benzoate
SpectraBase Compound ID KCR7qVpKj16
InChI InChI=1S/C30H21ClN2O5/c31-21-10-7-13-23(18-21)32-28(34)25-26(33(38-27(25)29(32)35)22-11-5-2-6-12-22)19-14-16-24(17-15-19)37-30(36)20-8-3-1-4-9-20/h1-18,25-27H
InChIKey FGYBWTFVCYLGRF-UHFFFAOYSA-N
Mol Weight 524.96 g/mol
Molecular Formula C30H21ClN2O5
Exact Mass 524.113899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2wntiGpwMuB
Name 4-[5-(3-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]phenyl benzoate
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/C30H21ClN2O5/c31-21-10-7-13-23(18-21)32-28(34)25-26(33(38-27(25)29(32)35)22-11-5-2-6-12-22)19-14-16-24(17-15-19)37-30(36)20-8-3-1-4-9-20/h1-18,25-27H
InChIKey FGYBWTFVCYLGRF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23476
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: D40906; Labnumber: VLM_NM-0408; SBI_ID: SBI-023480
Temperature 308 °C