| SpectraBase Spectrum ID |
LkoRJvKV6pm |
| Name |
4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridinyl)thio]methyl]-4-(3-pyridinyl)-, 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 |
495.136510727 u |
| Formula |
C27H21N5O3S |
| InChI |
InChI=1S/C27H21N5O3S/c1-2-34-27(33)24-22(35-25(30)20(14-29)23(24)19-9-6-12-31-15-19)16-36-26-18(13-28)10-11-21(32-26)17-7-4-3-5-8-17/h3-12,15,23H,2,16,30H2,1H3 |
| InChIKey |
SQXYWOYSDBYNHN-UHFFFAOYSA-N |
| Molecular Weight |
495.557 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_2124 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13268318 |
![4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridinyl)thio]methyl]-4-(3-pyridinyl)-, ethyl ester](/api/spectrum/LkoRJvKV6pm/structure.png?h=300&w=458 "4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridinyl)thio]methyl]-4-(3-pyridinyl)-, ethyl ester")
