| SpectraBase Spectrum ID |
As0CAAMIjNt |
| Name |
3,5-pyridinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4-dihydro-1-(2-thienylmethyl)-, 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)15-10-22(9-14-4-3-7-29-14)11-16(21(24)26-2)19(15)13-5-6-17-18(8-13)28-12-27-17/h3-8,10-11,19H,9,12H2,1-2H3 |
| InChIKey |
PWPJZIAHYYQKQB-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_9360 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10240506; Lab Info: SAS; Lab Number: SAS-tst3694 |
| Temperature |
29.85 °C |
