| SpectraBase Spectrum ID |
4VBPwwPNKCh |
| Name |
benzoic acid, 3-[5-[(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.093642857 u |
| Formula |
C20H18N2O5S |
| InChI |
InChI=1S/C20H18N2O5S/c1-3-21-17(23)15(18(24)22(4-2)20(21)28)11-14-8-9-16(27-14)12-6-5-7-13(10-12)19(25)26/h5-11H,3-4H2,1-2H3,(H,25,26) |
| InChIKey |
XXXRSZTWOQOUPM-UHFFFAOYSA-N |
| Molecular Weight |
398.433 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7332 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10222973; Lab Info: SAD; Lab Number: SAD-DAS1617 |
| Temperature |
29.85 °C |
![benzoic acid, 3-[5-[(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]-](/api/spectrum/4VBPwwPNKCh/structure.png?h=300&w=458 "benzoic acid, 3-[5-[(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]-")
