| SpectraBase Spectrum ID |
GaI5r6U2zDj |
| Name |
3-pyridinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, 2-methoxyethyl 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 |
411.031750298 u |
| Formula |
C17H18BrNO6 |
| InChI |
InChI=1S/C17H18BrNO6/c1-9-16(17(21)23-4-3-22-2)11(6-15(20)19-9)10-5-13-14(7-12(10)18)25-8-24-13/h5,7,11H,3-4,6,8H2,1-2H3,(H,19,20) |
| InChIKey |
RRBHSUJJBJPUPZ-UHFFFAOYSA-N |
| Molecular Weight |
412.236 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8186 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9253261; Lab Info: SAS; Lab Number: SAS-TST1513 |
| Temperature |
29.85 °C |
