| SpectraBase Spectrum ID |
Do2HLPpnlxG |
| Name |
acetic acid, [[3-cyano-1,4-dihydro-6-methyl-5-[[(2-methylphenyl)amino]carbonyl]-4-phenyl-2-pyridinyl]thio]-, 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 |
447.161662848 u |
| Formula |
C25H25N3O3S |
| InChI |
InChI=1S/C25H25N3O3S/c1-4-31-21(29)15-32-25-19(14-26)23(18-11-6-5-7-12-18)22(17(3)27-25)24(30)28-20-13-9-8-10-16(20)2/h5-13,23,27H,4,15H2,1-3H3,(H,28,30) |
| InChIKey |
VZQNKBZUWQCAQW-UHFFFAOYSA-N |
| Molecular Weight |
447.553 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10538 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251822; Lab Info: KR; Lab Number: KR-KV00192 |
![acetic acid, [[3-cyano-1,4-dihydro-6-methyl-5-[[(2-methylphenyl)amino]carbonyl]-4-phenyl-2-pyridinyl]thio]-, ethyl ester](/api/spectrum/Do2HLPpnlxG/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4-dihydro-6-methyl-5-[[(2-methylphenyl)amino]carbonyl]-4-phenyl-2-pyridinyl]thio]-, ethyl ester")
