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1-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
SpectraBase Compound ID GeCHyU5H0Xt
InChI InChI=1S/C21H21F2N2O2S.BrH/c1-26-18-10-5-14(12-19(18)27-2)17-13-25(20-4-3-11-24(17)20)15-6-8-16(9-7-15)28-21(22)23;/h5-10,12-13,21H,3-4,11H2,1-2H3;1H/q+1;/p-1
InChIKey JAGJHBXYDBODOM-UHFFFAOYSA-M
Mol Weight 483.37 g/mol
Molecular Formula C21H21BrF2N2O2S
Exact Mass 482.047518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3pRHxaOlohG
Name 1-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrrolo[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/C21H21F2N2O2S.BrH/c1-26-18-10-5-14(12-19(18)27-2)17-13-25(20-4-3-11-24(17)20)15-6-8-16(9-7-15)28-21(22)23;/h5-10,12-13,21H,3-4,11H2,1-2H3;1H/q+1;/p-1
InChIKey JAGJHBXYDBODOM-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6018
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: 121942; Labnumber: EX00112477; VK_ID: VK-006021
Temperature 308 °C