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1-[4-(difluoromethoxy)phenyl]-3-phenyl-5H,6H,7H,8H,9H-pyrazolo[1,2-a][1,2]diazepin-4-ium bromide
SpectraBase Compound ID AdZ0Ah5tLfJ
InChI InChI=1S/C21H21F2N2O.BrH/c22-21(23)26-18-11-9-17(10-12-18)20-15-19(16-7-3-1-4-8-16)24-13-5-2-6-14-25(20)24;/h1,3-4,7-12,15,21H,2,5-6,13-14H2;1H/q+1;/p-1
InChIKey UOMRBGQPGSMZSV-UHFFFAOYSA-M
Mol Weight 435.31 g/mol
Molecular Formula C21H21BrF2N2O
Exact Mass 434.080533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8PdjBGN8th2
Name 1-[4-(difluoromethoxy)phenyl]-3-phenyl-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/C21H21F2N2O.BrH/c22-21(23)26-18-11-9-17(10-12-18)20-15-19(16-7-3-1-4-8-16)24-13-5-2-6-14-25(20)24;/h1,3-4,7-12,15,21H,2,5-6,13-14H2;1H/q+1;/p-1
InChIKey UOMRBGQPGSMZSV-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16608
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: 987/00004125; Labnumber: 987/00004125218850; VK_ID: VK-016613
Temperature 318 °C