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1-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
SpectraBase Compound ID 5LmVrjJ1JZc
InChI InChI=1S/C23H20BrN3O2/c24-17-7-4-15(5-8-17)22-25-27-14-19(18-3-1-2-10-26(22)23(18)27)16-6-9-20-21(13-16)29-12-11-28-20/h4-9,13-14H,1-3,10-12H2
InChIKey SENYIDXPLXCFQG-UHFFFAOYSA-N
Mol Weight 450.34 g/mol
Molecular Formula C23H20BrN3O2
Exact Mass 449.07389 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4tqG7cd5gK9
Name 1-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-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/C23H20BrN3O2/c24-17-7-4-15(5-8-17)22-25-27-14-19(18-3-1-2-10-26(22)23(18)27)16-6-9-20-21(13-16)29-12-11-28-20/h4-9,13-14H,1-3,10-12H2
InChIKey SENYIDXPLXCFQG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5882
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: 121776; Labnumber: EX00112068; VK_ID: VK-005885
Temperature 318 °C