| SpectraBase Spectrum ID |
LBR91Mqn4W9 |
| Name |
(E)-3-(4'-Methoxyphenyl)-1-(3',4',5'-trimethoxyphenyl)-prop-2-en-1-one-3'-yl 6-(tert-butoxy-carbonylaminomethyl)nicotinate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H34N2O9 |
| InChI |
InChI=1S/C31H34N2O9/c1-31(2,3)42-30(36)33-18-22-11-10-20(17-32-22)29(35)41-25-14-19(9-13-24(25)37-4)8-12-23(34)21-15-26(38-5)28(40-7)27(16-21)39-6/h8-17H,18H2,1-7H3,(H,33,36)/b12-8+ |
| InChIKey |
LDTARGJJHYXPDP-XYOKQWHBSA-N |
| Instrument Name |
VARIAN MAT 311A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801001d |
| Molecular Weight |
578.618 g/mol |
| SMILES |
N(Cc1ccc(C(Oc2c(ccc(c2)\C=C\C(=O)c2cc(c(c(c2)OC)OC)OC)OC)=O)cn1)C(=O)OC(C)(C)C |
| SPLASH |
splash10-004i-0900150000-38999ff48ef0a8ad12ea |
| Source of Spectrum |
AF-52-SM4-4a |
| Thin-Layer Chromatography |
Rf = 0.25 |
| Wiley ID |
1873638 |
