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4-(5-benzyl-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile
SpectraBase Compound ID 8N53F65RWQo
InChI InChI=1S/C25H19N3O3/c26-15-17-11-13-19(14-12-17)22-21-23(31-28(22)20-9-5-2-6-10-20)25(30)27(24(21)29)16-18-7-3-1-4-8-18/h1-14,21-23H,16H2
InChIKey ZFOQTPPUNPWYRD-UHFFFAOYSA-N
Mol Weight 409.45 g/mol
Molecular Formula C25H19N3O3
Exact Mass 409.142641 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 57EUugpSQxz
Name 4-(5-benzyl-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile
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/C25H19N3O3/c26-15-17-11-13-19(14-12-17)22-21-23(31-28(22)20-9-5-2-6-10-20)25(30)27(24(21)29)16-18-7-3-1-4-8-18/h1-14,21-23H,16H2
InChIKey ZFOQTPPUNPWYRD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28670
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: D87002; Labnumber: VLM_NM-3026; SBI_ID: SBI-028674
Temperature 303 °C