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10a-[(E)-2-(3-bromophenyl)ethenyl]-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
SpectraBase Compound ID 6nFx5dPa0u3
InChI InChI=1S/C21H21BrN2O/c1-20(2)17-8-3-4-9-18(17)24-13-11-19(25)23-21(20,24)12-10-15-6-5-7-16(22)14-15/h3-10,12,14H,11,13H2,1-2H3,(H,23,25)/b12-10+
InChIKey GXLPEZRILPACRN-ZRDIBKRKSA-N
Mol Weight 397.32 g/mol
Molecular Formula C21H21BrN2O
Exact Mass 396.083726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KLrChGa4TPX
Name pyrimido[1,2-a]indol-2(1H)-one, 10a-[(E)-2-(3-bromophenyl)ethenyl]-3,4,10,10a-tetrahydro-10,10-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.083726303 u
Formula C21H21BrN2O
InChI InChI=1S/C21H21BrN2O/c1-20(2)17-8-3-4-9-18(17)24-13-11-19(25)23-21(20,24)12-10-15-6-5-7-16(22)14-15/h3-10,12,14H,11,13H2,1-2H3,(H,23,25)/b12-10+
InChIKey GXLPEZRILPACRN-ZRDIBKRKSA-N
Molecular Weight 397.316 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5007
Solvent DMSO-d6
Source Vendor ID: NMR/9273467; Lab Info: ASA; Lab Number: ASA-0000004