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2-(4-bromobenzyl)-10,11-dimethyl-3a,4,9,9a-tetrahydro-1H-4,9-ethenobenzo[f]isoindole-1,3(2H)-dione
SpectraBase Compound ID If2IXVFNmZt
InChI InChI=1S/C23H20BrNO2/c1-12-13(2)19-17-6-4-3-5-16(17)18(12)20-21(19)23(27)25(22(20)26)11-14-7-9-15(24)10-8-14/h3-10,18-21H,11H2,1-2H3/t18-,19+,20-,21+
InChIKey MWRXCMGYDXUENC-FXELSEDVSA-N
Mol Weight 422.32 g/mol
Molecular Formula C23H20BrNO2
Exact Mass 421.067742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4qBo1gwSYIX
Name 2-(4-bromobenzyl)-10,11-dimethyl-3a,4,9,9a-tetrahydro-1H-4,9-ethenobenzo[f]isoindole-1,3(2H)-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/C23H20BrNO2/c1-12-13(2)19-17-6-4-3-5-16(17)18(12)20-21(19)23(27)25(22(20)26)11-14-7-9-15(24)10-8-14/h3-10,18-21H,11H2,1-2H3/t18-,19+,20-,21+
InChIKey MWRXCMGYDXUENC-FXELSEDVSA-N
NMR Offset 13.9821
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3494
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: AG-205/5117361; Labnumber: LD-651b; IOH_ID: IOH-010497
Temperature 297 °C