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11-(3-bromophenyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,f][1,4]diazepin-10-ium
SpectraBase Compound ID JZhm2d4YHy9
InChI InChI=1S/C21H21BrN2O/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(22)10-13)24-16-9-4-3-8-15(16)23-17/h3-10,20,23-24H,11-12H2,1-2H3/p+1
InChIKey WOAGWKCGXQPAPI-UHFFFAOYSA-O
Mol Weight 398.32 g/mol
Molecular Formula C21H22BrN2O
Exact Mass 397.091551 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DdFynDLxBoe
Name 11-(3-bromophenyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,f][1,4]diazepin-10-ium
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/C21H21BrN2O/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(22)10-13)24-16-9-4-3-8-15(16)23-17/h3-10,20,23-24H,11-12H2,1-2H3/p+1
InChIKey WOAGWKCGXQPAPI-UHFFFAOYSA-O
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18187
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: UZI/9120423; UBI_ID: UBI-018190
Temperature 313 °C