| SpectraBase Spectrum ID |
GiWSZisOdtx |
| Name |
4H-pyran-3-carboxylic acid, 6-amino-5-cyano-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-2-propyl-, 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 |
465.172227531 u |
| Formula |
C25H27N3O4S |
| InChI |
InChI=1S/C25H27N3O4S/c1-4-8-20-23(25(29)31-5-2)22(18(14-26)24(27)32-20)16-10-11-19(30-3)17(13-16)15-33-21-9-6-7-12-28-21/h6-7,9-13,22H,4-5,8,15,27H2,1-3H3 |
| InChIKey |
FYVOSEZMILRUGT-UHFFFAOYSA-N |
| Molecular Weight |
465.568 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2140 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8162732; Lab Info: TSH; Lab Number: TSH-f000795 |
| Temperature |
29.85 °C |
![4H-pyran-3-carboxylic acid, 6-amino-5-cyano-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-2-propyl-, ethyl ester](/api/spectrum/GiWSZisOdtx/structure.png?h=300&w=458 "4H-pyran-3-carboxylic acid, 6-amino-5-cyano-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-2-propyl-, ethyl ester")
