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(3aR,4S,9aR,9bS)-8-benzoyl-4-(4-bromobenzoyl)-2-(4-methoxyphenyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione

View entire compound with spectra: 1 NMR

(3aR,4S,9aR,9bS)-8-benzoyl-4-(4-bromobenzoyl)-2-(4-methoxyphenyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
SpectraBase Compound ID 2d0YUgDLUM2
InChI InChI=1S/C31H23BrN2O5/c1-39-23-13-11-22(12-14-23)34-30(37)25-24-17-20(28(35)18-5-3-2-4-6-18)15-16-33(24)27(26(25)31(34)38)29(36)19-7-9-21(32)10-8-19/h2-17,24-27H,1H3
InChIKey UNWJUYYXCJWMEJ-UHFFFAOYSA-N
Mol Weight 583.44 g/mol
Molecular Formula C31H23BrN2O5
Exact Mass 582.079035 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4J3ssQesfaO
Name (3aR,4S,9aR,9bS)-8-benzoyl-4-(4-bromobenzoyl)-2-(4-methoxyphenyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H23BrN2O5/c1-39-23-13-11-22(12-14-23)34-30(37)25-24-17-20(28(35)18-5-3-2-4-6-18)15-16-33(24)27(26(25)31(34)38)29(36)19-7-9-21(32)10-8-19/h2-17,24-27H,1H3
InChIKey UNWJUYYXCJWMEJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4699
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: 121439; Labnumber: NNA01-021; VK_ID: VK-004700
Temperature 308 °C