| SpectraBase Spectrum ID |
CftOxowBaju |
| Name |
benzoic acid, 4-[5-[(Z)-(tetrahydro-2,4,6-trioxo-1-(2-propenyl)-5(2H)-pyrimidinylidene)methyl]-2-furanyl]-, ethyl 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 |
394.116486302 u |
| Formula |
C21H18N2O6 |
| InChI |
InChI=1S/C21H18N2O6/c1-3-11-23-19(25)16(18(24)22-21(23)27)12-15-9-10-17(29-15)13-5-7-14(8-6-13)20(26)28-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,22,24,27)/b16-12- |
| InChIKey |
ZEZIBKVKMLBXNW-VBKFSLOCSA-N |
| Molecular Weight |
394.383 g/mol |
| NMR Offset |
15.0036 |
| NMR Spectrometer Frequency |
250.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_610 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8075346; Lab Info: LP; Lab Number: LP-3513878 |
| Temperature |
23.85 °C |
![benzoic acid, 4-[5-[(Z)-(tetrahydro-2,4,6-trioxo-1-(2-propenyl)-5(2H)-pyrimidinylidene)methyl]-2-furanyl]-, ethyl ester](/api/spectrum/CftOxowBaju/structure.png?h=300&w=458 "benzoic acid, 4-[5-[(Z)-(tetrahydro-2,4,6-trioxo-1-(2-propenyl)-5(2H)-pyrimidinylidene)methyl]-2-furanyl]-, ethyl ester")
