| SpectraBase Spectrum ID |
KWbIab0SRQ2 |
| Name |
benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)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 |
436.120526310 u |
| Formula |
C22H20N4O4S |
| InChI |
InChI=1S/C22H20N4O4S/c1-3-5-18-25-26-19(23)16(20(27)24-22(26)31-18)12-15-10-11-17(30-15)13-6-8-14(9-7-13)21(28)29-4-2/h6-12,23H,3-5H2,1-2H3/b16-12-,23-19? |
| InChIKey |
RPAAAWXDFODICB-OMLAYDHKSA-N |
| Molecular Weight |
436.486 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15573 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10032611; Lab Info: CEP; Lab Number: CEP-6700200 |
![benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, ethyl ester](/api/spectrum/KWbIab0SRQ2/structure.png?h=300&w=458 "benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, ethyl ester")
