SpectraBase Compound ID | 5HMJBY70kET |
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InChI | InChI=1S/C21H22N2O3S2/c1-25-18-9-8-15(12-19(18)26-2)10-11-23-20(24)17(13-22)21(27)28-14-16-6-4-3-5-7-16/h3-9,12,27H,10-11,14H2,1-2H3,(H,23,24) |
InChIKey | KHLUOAPQXJWCLG-UHFFFAOYSA-N |
Mol Weight | 414.54 g/mol |
Molecular Formula | C21H22N2O3S2 |
Exact Mass | 414.107185 g/mol |
SpectraBase Spectrum ID | G6tMQhVyHF3 |
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Name | 3-(benzylthio)-2-cyano-N-(3,4-dimethoxyphenethyl)-3-mercaptoacrylamide |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H22N2O3S2 |
InChI | InChI=1S/C21H22N2O3S2/c1-25-18-9-8-15(12-19(18)26-2)10-11-23-20(24)17(13-22)21(27)28-14-16-6-4-3-5-7-16/h3-9,12,27H,10-11,14H2,1-2H3,(H,23,24) |
InChIKey | KHLUOAPQXJWCLG-UHFFFAOYSA-N |
Sadtler IR Number | 49447 |
Sadtler UV Number | 25253N |
Solvent | Methanol |