| SpectraBase Spectrum ID |
5eIODPN0wYr |
| Name |
3-[[(1R,4S)-4-acetoxycyclohex-2-en-1-yl]-benzyl-amino]-3-keto-propionic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.157622840 u |
| Formula |
C19H23NO5 |
| InChI |
InChI=1S/C19H23NO5/c1-14(21)25-17-10-8-16(9-11-17)20(18(22)12-19(23)24-2)13-15-6-4-3-5-7-15/h3-8,10,16-17H,9,11-13H2,1-2H3/t16-,17+/m0/s1 |
| InChIKey |
MXCFWPHZJHECJH-DLBZAZTESA-N |
| Molecular Weight |
345.395 g/mol |
| SMILES |
C(N([C@]1(C=C[C@@](OC(=O)C)(CC1)[H])[H])CC=1C=CC=CC1)(CC(=O)OC)=O |
![3-[[(1R,4S)-4-acetoxycyclohex-2-en-1-yl]-benzyl-amino]-3-keto-propionic acid methyl ester](/api/spectrum/5eIODPN0wYr/structure.png?h=300&w=458 "3-[[(1R,4S)-4-acetoxycyclohex-2-en-1-yl]-benzyl-amino]-3-keto-propionic acid methyl ester")
