| SpectraBase Spectrum ID |
FEAXlE3G3pf |
| Name |
Benzoic acid (E)-(S)-5-dimethylcarbamoyl-1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-pent-3-enyl 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/c1-20(2)24-14-17(26-20)16(12-8-9-13-18(22)21(3)4)25-19(23)15-10-6-5-7-11-15/h5-11,16-17H,12-14H2,1-4H3/b9-8+/t16-,17+/m0/s1 |
| InChIKey |
DRPUWZCXDOQAAZ-IBHATUTGSA-N |
| Molecular Weight |
361.438 g/mol |
| SMILES |
C1(O[C@](CO1)([C@@](OC(=O)C1=CC=CC=C1)(C\C=C\CC(N(C)C)=O)[H])[H])(C)C |
![Benzoic acid (E)-(S)-5-dimethylcarbamoyl-1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-pent-3-enyl ester](/api/spectrum/FEAXlE3G3pf/structure.png?h=300&w=458 "Benzoic acid (E)-(S)-5-dimethylcarbamoyl-1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-pent-3-enyl ester")
