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2-bromo-N-[(Z)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-2-(2-thienyl)ethenyl]benzamide
SpectraBase Compound ID K47SpC1iolA
InChI InChI=1S/C25H22BrN3O3S/c26-20-7-2-1-6-19(20)24(31)27-21(12-18-5-4-10-33-18)25(32)28-13-16-11-17(15-28)22-8-3-9-23(30)29(22)14-16/h1-10,12,16-17H,11,13-15H2,(H,27,31)/b21-12-
InChIKey SZEVTVCYGUSSFV-MTJSOVHGSA-N
Mol Weight 524.43 g/mol
Molecular Formula C25H22BrN3O3S
Exact Mass 523.056526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 307asIFYOxU
Name 2-bromo-N-[(Z)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-2-(2-thienyl)ethenyl]benzamide
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/C25H22BrN3O3S/c26-20-7-2-1-6-19(20)24(31)27-21(12-18-5-4-10-33-18)25(32)28-13-16-11-17(15-28)22-8-3-9-23(30)29(22)14-16/h1-10,12,16-17H,11,13-15H2,(H,27,31)/b21-12-
InChIKey SZEVTVCYGUSSFV-MTJSOVHGSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13391
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/9123430; UBI_ID: UBI-013394
Synonyms 2-bromo-N-[1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-2-(2-thienyl)ethenyl]benzamide
Temperature 308 °C