| SpectraBase Spectrum ID |
7kwG12I1TZM |
| Name |
benzoic acid, 3-[5-[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]-, cyanomethyl 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 |
381.041941635 u |
| Formula |
C18H11N3O5S |
| InChI |
InChI=1S/C18H11N3O5S/c19-6-7-25-17(24)11-3-1-2-10(8-11)14-5-4-12(26-14)9-13-15(22)20-18(27)21-16(13)23/h1-5,8-9H,7H2,(H2,20,21,22,23,27) |
| InChIKey |
VUXPVPYDKFTCKK-UHFFFAOYSA-N |
| Molecular Weight |
381.362 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9515 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10231590; Lab Info: LP; Lab Number: LP-3700787 |
| Temperature |
29.85 °C |
![benzoic acid, 3-[5-[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]-, cyanomethyl ester](/api/spectrum/7kwG12I1TZM/structure.png?h=300&w=458 "benzoic acid, 3-[5-[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]-, cyanomethyl ester")
