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

*Links on SpectraBase are not permalinks.
1-[2-(4-bromoanilino)-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane 2-naphthalenesulfonate
SpectraBase Compound ID AmRA4PBVifi
InChI InChI=1S/C14H18BrN3O.C10H8O3S/c15-12-1-3-13(4-2-12)16-14(19)11-18-8-5-17(6-9-18)7-10-18;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-11H2;1-7H,(H,11,12,13)
InChIKey CHPSLUCIFMFCCE-UHFFFAOYSA-N
Mol Weight 532.45 g/mol
Molecular Formula C24H26BrN3O4S
Exact Mass 531.08274 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 AOXzZJQktdw
Name 1-[2-(4-bromoanilino)-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane 2-naphthalenesulfonate
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/C14H18BrN3O.C10H8O3S/c15-12-1-3-13(4-2-12)16-14(19)11-18-8-5-17(6-9-18)7-10-18;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-11H2;1-7H,(H,11,12,13)
InChIKey CHPSLUCIFMFCCE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14709
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: 987/00000307; Labnumber: 987/00000307218802; VK_ID: VK-014714
Temperature 318 °C