| SpectraBase Spectrum ID |
5ATfrR2muAr |
| Name |
Isopropyl 2-Cyano-3-phenyl-3-thioacetamidopropenoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16N2O2S |
| InChI |
InChI=1S/C15H16N2O2S/c1-10(2)19-15(18)13(9-16)14(17-11(3)20)12-7-5-4-6-8-12/h4-8,10H,1-3H3,(H,17,20)/b14-13+ |
| InChIKey |
WCAWZJAUMCQKMH-BUHFOSPRSA-N |
| Molecular Weight |
288.365 g/mol |
| SMILES |
N(\C(=C\(C(OC(C)C)=O)C#N)c1ccccc1)C(=S)C |
| SPLASH |
splash10-0udi-0090000000-90072df49083fd1e49d3 |
| Source of Spectrum |
SO-0-87-3 |
| Wiley ID |
1538379 |
