For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1S,9S)-N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide

View entire compound with spectra: 1 NMR

(1S,9S)-N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide
SpectraBase Compound ID Bbt1QhI67Wv
InChI InChI=1S/C22H25BrN4O3/c1-14-9-17(5-6-18(14)23)25-20(28)7-8-24-22(30)26-11-15-10-16(13-26)19-3-2-4-21(29)27(19)12-15/h2-6,9,15-16H,7-8,10-13H2,1H3,(H,24,30)(H,25,28)
InChIKey FKWVBLKJTDBXFC-UHFFFAOYSA-N
Mol Weight 473.37 g/mol
Molecular Formula C22H25BrN4O3
Exact Mass 472.111004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Brxi34mc7EJ
Name (1S,9S)-N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide
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/C22H25BrN4O3/c1-14-9-17(5-6-18(14)23)25-20(28)7-8-24-22(30)26-11-15-10-16(13-26)19-3-2-4-21(29)27(19)12-15/h2-6,9,15-16H,7-8,10-13H2,1H3,(H,24,30)(H,25,28)
InChIKey FKWVBLKJTDBXFC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28598
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: D87600; Labnumber: EXP23Ogo001303; SBI_ID: SBI-028602
Synonyms N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide
Temperature 308 °C