| SpectraBase Spectrum ID |
crYCzcAxwZ |
| Name |
S-Methyl 2-{4-[2-(N-heptyl-N-(benzoxazol-2-yl)amino-ethyl)]phenoxy}-3-phenylpropanoate |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H38N2O4 |
| InChI |
InChI=1S/C32H38N2O4/c1-3-4-5-6-12-22-34(32-33-28-15-10-11-16-29(28)38-32)23-21-25-17-19-27(20-18-25)37-30(31(35)36-2)24-26-13-8-7-9-14-26/h7-11,13-20,30H,3-6,12,21-24H2,1-2H3/t30-/m0/s1 |
| InChIKey |
DALIVBCETFLCJM-PMERELPUSA-N |
| Instrument Name |
HP 6890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm201306q |
| Molecular Weight |
514.666 g/mol |
| SMILES |
c1ccc2nc(N(CCc3ccc(O[C@@](Cc4ccccc4)(C(=O)OC)[H])cc3)CCCCCCC)oc2c1 |
| SPLASH |
splash10-03dl-0920000000-fbcb9b657bfe04f8cfd8 |
| Source of Spectrum |
AF-55-SM3-S-5c |
| Wiley ID |
1852004 |
![S-Methyl 2-{4-[2-(N-heptyl-N-(benzoxazol-2-yl)amino-ethyl)]phenoxy}-3-phenylpropanoate](/api/spectrum/crYCzcAxwZ/structure.png?h=300&w=458 "S-Methyl 2-{4-[2-(N-heptyl-N-(benzoxazol-2-yl)amino-ethyl)]phenoxy}-3-phenylpropanoate")
