| SpectraBase Spectrum ID |
KTGXhQrguAt |
| Name |
2-(Methoxycarbonyl)-.alpha.-cyano(thio)cinnamyl-amide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10N2O2S |
| InChI |
InChI=1S/C12H10N2O2S/c1-16-12(15)10-5-3-2-4-8(10)6-9(7-13)11(14)17/h2-6H,1H3,(H2,14,17)/b9-6+ |
| InChIKey |
SITQZOJKOZKYKD-RMKNXTFCSA-N |
| Molecular Weight |
246.284 g/mol |
| SMILES |
NC(\C(=C\c1c(C(=O)OC)cccc1)C#N)=S |
| SPLASH |
splash10-000i-0900000000-27a9c9d7d333f7ea684b |
| Source of Spectrum |
D8-326-860-6 |
| Synonyms |
methyl 2-[(1E)-3-amino-2-cyano-3-thioxo-1-propenyl]benzoate |
| Wiley ID |
1514912 |
