| SpectraBase Spectrum ID |
ALjbAqjS6n9 |
| Name |
4-Hydroxy-3-methoxy-5-[(3-carboxypropyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile |
| Alternate Name(s) |
4-({5-[(1Z)-3-amino-2-cyano-3-oxo-1-propenyl]-2-hydroxy-3-methoxybenzyl}sulfanyl)butanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18N2O5S |
| InChI |
InChI=1S/C16H18N2O5S/c1-23-13-7-10(5-11(8-17)16(18)22)6-12(15(13)21)9-24-4-2-3-14(19)20/h5-7,21H,2-4,9H2,1H3,(H2,18,22)(H,19,20)/b11-5- |
| InChIKey |
IOIKLYGLEHRULX-WZUFQYTHSA-N |
| Molecular Weight |
350.389 g/mol |
| SMILES |
OC(CCCSCc1cc(cc(c1O)OC)\C=C/(C(=O)N)C#N)=O |
| SPLASH |
splash10-001i-0490000000-c78295801e1425bf0c26 |
| Source of Spectrum |
E1-36-3561-19 |
| Wiley ID |
1574790 |
![4-Hydroxy-3-methoxy-5-[(3-carboxypropyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile](/api/spectrum/ALjbAqjS6n9/structure.png?h=300&w=458 "4-Hydroxy-3-methoxy-5-[(3-carboxypropyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile")
