| SpectraBase Spectrum ID |
XNnSQxaoIv |
| Name |
benzonitrile, 2-[[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.152160792 u |
| Formula |
C25H23N5O3S |
| InChI |
InChI=1S/C25H23N5O3S/c1-3-7-22-29-30-23(27)19(24(31)28-25(30)34-22)12-16-10-11-20(21(13-16)32-4-2)33-15-18-9-6-5-8-17(18)14-26/h5-6,8-13,27H,3-4,7,15H2,1-2H3/b19-12-,27-23? |
| InChIKey |
ATZUBUALOCLFSR-CMBAVNGNSA-N |
| Molecular Weight |
473.551 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15633 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10034332; Lab Info: CEP; Lab Number: CEP-6700355 |
![benzonitrile, 2-[[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]-](/api/spectrum/XNnSQxaoIv/structure.png?h=300&w=458 "benzonitrile, 2-[[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]-")
