| SpectraBase Spectrum ID |
4IsJMfCjLR4 |
| Name |
2-[2-[2-(3-Ketocyclohexen-1-yl)-4,5-dimethoxy-phenyl]ethylamino]acetic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.188922968 u |
| Formula |
C20H27NO5 |
| InChI |
InChI=1S/C20H27NO5/c1-4-26-20(23)13-21-9-8-15-11-18(24-2)19(25-3)12-17(15)14-6-5-7-16(22)10-14/h10-12,21H,4-9,13H2,1-3H3 |
| InChIKey |
MJWGRMVOGZGXQQ-UHFFFAOYSA-N |
| Molecular Weight |
361.438 g/mol |
| SMILES |
C1(C=2C=C(OC)C(=CC2CCNCC(=O)OCC)OC)=CC(=O)CCC1 |
![2-[2-[2-(3-Ketocyclohexen-1-yl)-4,5-dimethoxy-phenyl]ethylamino]acetic acid ethyl ester](/api/spectrum/4IsJMfCjLR4/structure.png?h=300&w=458 "2-[2-[2-(3-Ketocyclohexen-1-yl)-4,5-dimethoxy-phenyl]ethylamino]acetic acid ethyl ester")
