4-[5-(3-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]phenyl benzoate

SpectraBase Compound ID	6fKxzXs0jPA
InChI	InChI=1S/C31H24N2O5/c1-20-9-8-14-24(19-20)32-29(34)26-27(33(38-28(26)30(32)35)23-12-6-3-7-13-23)21-15-17-25(18-16-21)37-31(36)22-10-4-2-5-11-22/h2-19,26-28H,1H3
InChIKey	XVOPXTZPMAYANC-UHFFFAOYSA-N Google Search
Mol Weight	504.54 g/mol
Molecular Formula	C31H24N2O5
Exact Mass	504.168522 g/mol

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SpectraBase Spectrum ID	38n4Izy41KN
Name	4-[5-(3-methylphenyl)-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/C31H24N2O5/c1-20-9-8-14-24(19-20)32-29(34)26-27(33(38-28(26)30(32)35)23-12-6-3-7-13-23)21-15-17-25(18-16-21)37-31(36)22-10-4-2-5-11-22/h2-19,26-28H,1H3
InChIKey	XVOPXTZPMAYANC-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23535
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: D40746; Labnumber: VLM_NM-0259-1; SBI_ID: SBI-023539
Temperature	318 °C