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9-(4-(tert-butyl)benzyl)-2-methyl-9H-benzo[d]imidazo[1,2-a]imidazol-1-ium bromide
SpectraBase Compound ID I997Cf7PRuf
InChI InChI=1S/C21H24N3.BrH/c1-15-13-23-18-7-5-6-8-19(18)24(20(23)22-15)14-16-9-11-17(12-10-16)21(2,3)4;/h5-13,22H,14H2,1-4H3;1H/q+1;/p-1
InChIKey LXSURLFJEDVPST-UHFFFAOYSA-M
Mol Weight 398.35 g/mol
Molecular Formula C21H24BrN3
Exact Mass 397.115361 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID fwIZTvzV2G
Name 9-(4-(tert-butyl)benzyl)-2-methyl-9H-benzo[d]imidazo[1,2-a]imidazol-1-ium bromide
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/C21H24N3.BrH/c1-15-13-23-18-7-5-6-8-19(18)24(20(23)22-15)14-16-9-11-17(12-10-16)21(2,3)4;/h5-13,22H,14H2,1-4H3;1H/q+1;/p-1
InChIKey LXSURLFJEDVPST-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13933
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: 200407; Labnumber: RRVA-630; VK_ID: VK-013938
Temperature 308 °C