| SpectraBase Spectrum ID |
BlPyIfba1Gg |
| Name |
1-azoniabicyclo[2.2.2]octane, 1-[2-(4-nitrophenyl)-2-oxoethyl]-3-(2-thienylcarbonyl)-, bromide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.040541334 u |
| Formula |
C20H21BrN2O4S |
| InChI |
InChI=1S/C20H21N2O4S.BrH/c23-18(15-3-5-16(6-4-15)21(25)26)13-22-9-7-14(8-10-22)17(12-22)20(24)19-2-1-11-27-19;/h1-6,11,14,17H,7-10,12-13H2;1H/q+1;/p-1 |
| InChIKey |
LBFNXCIANKNFGG-UHFFFAOYSA-M |
| Molecular Weight |
465.362 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8506 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10210101; Lab Info: ALE; Lab Number: ALE-NA00142 |
| Temperature |
23.85 °C |
![1-azoniabicyclo[2.2.2]octane, 1-[2-(4-nitrophenyl)-2-oxoethyl]-3-(2-thienylcarbonyl)-, bromide](/api/spectrum/BlPyIfba1Gg/structure.png?h=300&w=458 "1-azoniabicyclo[2.2.2]octane, 1-[2-(4-nitrophenyl)-2-oxoethyl]-3-(2-thienylcarbonyl)-, bromide")
