| SpectraBase Spectrum ID |
EdHnILpZkYm |
| Name |
3,5-pyridinedicarboxylic acid, 1-(1,3-benzodioxol-5-ylmethyl)-1,4-dihydro-4-(2-thienyl)-, 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 |
413.093308504 u |
| Formula |
C21H19NO6S |
| InChI |
InChI=1S/C21H19NO6S/c1-25-20(23)14-10-22(9-13-5-6-16-17(8-13)28-12-27-16)11-15(21(24)26-2)19(14)18-4-3-7-29-18/h3-8,10-11,19H,9,12H2,1-2H3 |
| InChIKey |
TYPXECDKNDFALM-UHFFFAOYSA-N |
| Molecular Weight |
413.444 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11373 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10261374; Lab Info: SAS; Lab Number: SAS-tst3952 |
| Temperature |
23.85 °C |
