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4-(4-Bromo-phenyl)-1-phenoxymethyl-5,6,7,8-tetrahydro-2,2a,8a-triaza-cyclopenta[cd]azulene
SpectraBase Compound ID 4IC4YsObiYO
InChI InChI=1S/C22H20BrN3O/c23-17-11-9-16(10-12-17)20-14-26-22-19(20)8-4-5-13-25(22)21(24-26)15-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,14H,4-5,8,13,15H2
InChIKey OPVUTLKUAZYANQ-UHFFFAOYSA-N
Mol Weight 422.33 g/mol
Molecular Formula C22H20BrN3O
Exact Mass 421.078975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FWKyWAnSZHl
Name 4-(4-bromophenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
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/C22H20BrN3O/c23-17-11-9-16(10-12-17)20-14-26-22-19(20)8-4-5-13-25(22)21(24-26)15-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,14H,4-5,8,13,15H2
InChIKey OPVUTLKUAZYANQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5479
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: NMR/11221654; Labnumber: 0603; IOH_ID: IOH-005480
Synonyms [4-(4-bromophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl phenyl ether