| SpectraBase Spectrum ID |
7404PYH4QwD |
| Name |
benzoic acid, 4-fluoro-, 4-[(Z)-(5-imino-2-(1-methylethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 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 |
466.111104441 u |
| Formula |
C23H19FN4O4S |
| InChI |
InChI=1S/C23H19FN4O4S/c1-12(2)21-27-28-19(25)16(20(29)26-23(28)33-21)10-13-4-9-17(18(11-13)31-3)32-22(30)14-5-7-15(24)8-6-14/h4-12,25H,1-3H3/b16-10-,25-19? |
| InChIKey |
YXSYLEYWDOQPDA-IXNLWNGPSA-N |
| Molecular Weight |
466.487 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17030 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10031223; Lab Info: CEP; Lab Number: CEP-6700320 |
![benzoic acid, 4-fluoro-, 4-[(Z)-(5-imino-2-(1-methylethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester](/api/spectrum/7404PYH4QwD/structure.png?h=300&w=458 "benzoic acid, 4-fluoro-, 4-[(Z)-(5-imino-2-(1-methylethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester")
