SpectraBase Spectrum ID |
AakpXUesPNa |
Name |
3,5-pyridinedicarboxylic acid, 4-(3-bromophenyl)-1,4-dihydro-1-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-, dimethyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
513.151471510 u |
Formula |
C27H32BrNO4 |
InChI |
InChI=1S/C27H32BrNO4/c1-32-25(30)22-15-29(7-6-27-12-17-8-18(13-27)10-19(9-17)14-27)16-23(26(31)33-2)24(22)20-4-3-5-21(28)11-20/h3-5,11,15-19,24H,6-10,12-14H2,1-2H3/t17-,18+,19-,27+ |
InChIKey |
WIIQFFOZCQTZCX-VSDUKKIQSA-N |
Molecular Weight |
514.460 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_15410 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11241291; Lab Info: SAS; Lab Number: SAS-tstz009 |