| SpectraBase Spectrum ID |
CmZ3yiEvSA5 |
| Name |
(R)-1-(4-Nitrophenyl)-3-buten-1-[(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic-acid]-ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.113707168 u |
| Formula |
C20H18F3NO5 |
| InChI |
InChI=1S/C20H18F3NO5/c1-3-7-17(14-10-12-16(13-11-14)24(26)27)29-18(25)19(28-2,20(21,22)23)15-8-5-4-6-9-15/h3-6,8-13,17H,1,7H2,2H3/t17-,19?/m1/s1 |
| InChIKey |
KUFUPTRPOFHPGU-DUSLRRAJSA-N |
| Molecular Weight |
409.361 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C([C@@](CC=C)(OC(=O)C(OC)(C2=CC=CC=C2)C(F)(F)F)[H])C=C1 |
![(R)-1-(4-Nitrophenyl)-3-buten-1-[(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic-acid]-ester](/api/spectrum/CmZ3yiEvSA5/structure.png?h=300&w=458 "(R)-1-(4-Nitrophenyl)-3-buten-1-[(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic-acid]-ester")
