| SpectraBase Spectrum ID |
DfgXmt8BkdD |
| Name |
2-Propenoic acid, 2-isothiocyanato-3-(1-methyl-1H-indol-3-yl)-, ethyl ester |
| Alternate Name(s) |
Ethyl (2E)-2-isothiocyanato-3-(1-methyl-1H-indol-3-yl)-2-propenoate
Ethyl 3-(1-methylindol-3-yl)-2-(isothiocyanato)prop-2-enoate |
| CAS Registry Number |
116906-94-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14N2O2S |
| InChI |
InChI=1S/C15H14N2O2S/c1-3-19-15(18)13(16-10-20)8-11-9-17(2)14-7-5-4-6-12(11)14/h4-9H,3H2,1-2H3/b13-8+ |
| InChIKey |
VXSKBBHQNBQYBS-MDWZMJQESA-N |
| Molecular Weight |
286.349 g/mol |
| SMILES |
c1(c[n](C)c2c1cccc2)\C=C/(C(=O)OCC)N=C=S |
| SPLASH |
splash10-01ei-1900000000-b776089c6741eba0614d |
| Source of Spectrum |
KC-1988-1821-7 |
| Wiley ID |
1289684 |
