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1-[1,1'-biphenyl]-4-yl-3-(4-ethylphenyl)-5H,6H,7H,8H,9H-pyrazolo[1,2-a][1,2]diazepin-4-ium bromide
SpectraBase Compound ID GcsC1OqRxhR
InChI InChI=1S/C28H29N2.BrH/c1-2-22-11-13-25(14-12-22)27-21-28(30-20-8-4-7-19-29(27)30)26-17-15-24(16-18-26)23-9-5-3-6-10-23;/h3,5-6,9-18,21H,2,4,7-8,19-20H2,1H3;1H/q+1;/p-1
InChIKey XHJXPAKUPHOLOO-UHFFFAOYSA-M
Mol Weight 473.46 g/mol
Molecular Formula C28H29BrN2
Exact Mass 472.151412 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQ2tzfpCmYe
Name 1-[1,1'-biphenyl]-4-yl-3-(4-ethylphenyl)-5H,6H,7H,8H,9H-pyrazolo[1,2-a][1,2]diazepin-4-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/C28H29N2.BrH/c1-2-22-11-13-25(14-12-22)27-21-28(30-20-8-4-7-19-29(27)30)26-17-15-24(16-18-26)23-9-5-3-6-10-23;/h3,5-6,9-18,21H,2,4,7-8,19-20H2,1H3;1H/q+1;/p-1
InChIKey XHJXPAKUPHOLOO-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16616
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: 987/00004135; Labnumber: 987/00004135218850; VK_ID: VK-016621
Temperature 318 °C