| SpectraBase Spectrum ID |
BWXy5xjJ0O4 |
| Name |
acetic acid, [[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]-, butyl 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 |
400.076074675 u |
| Formula |
C19H17ClN4O2S |
| InChI |
InChI=1S/C19H17ClN4O2S/c1-2-3-8-26-16(25)11-27-19-14(10-22)17(13(9-21)18(23)24-19)12-6-4-5-7-15(12)20/h4-7H,2-3,8,11H2,1H3,(H2,23,24) |
| InChIKey |
UFZFZKWFQIVUBF-UHFFFAOYSA-N |
| Molecular Weight |
400.884 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6068 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10211954; Lab Info: KR; Lab Number: KR-KSG1G65 |
| Temperature |
23.85 °C |
![acetic acid, [[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]-, butyl ester](/api/spectrum/BWXy5xjJ0O4/structure.png?h=300&w=458 "acetic acid, [[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]-, butyl ester")
