SpectraBase Compound ID | BT3bAQjGQ3U |
---|---|
InChI | InChI=1S/C21H21ClN4O3S/c1-3-29-17-10-8-16(9-11-17)23-20(28)18-12-19(27)24-21(30-18)26-25-13(2)14-4-6-15(22)7-5-14/h4-11,18H,3,12H2,1-2H3,(H,23,28)(H,24,26,27)/b25-13+ |
InChIKey | DKOVEWBVKAMIDN-DHRITJCHSA-N |
Mol Weight | 444.94 g/mol |
Molecular Formula | C21H21ClN4O3S |
Exact Mass | 444.102289 g/mol |
SpectraBase Spectrum ID | LfUFiEhcBdw |
---|---|
Name | (2E)-2-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazono}-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 444.102289423 u |
Formula | C21H21ClN4O3S |
InChI | InChI=1S/C21H21ClN4O3S/c1-3-29-17-10-8-16(9-11-17)23-20(28)18-12-19(27)24-21(30-18)26-25-13(2)14-4-6-15(22)7-5-14/h4-11,18H,3,12H2,1-2H3,(H,23,28)(H,24,26,27)/b25-13+ |
InChIKey | DKOVEWBVKAMIDN-DHRITJCHSA-N |
Molecular Weight | 444.937 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_1478 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12269851 |