| SpectraBase Spectrum ID |
1Ctf2gU12ot |
| Name |
(R+S)-(R)-(Octan-2-yl)-3-oxo-2-phenylbutanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.188194694 u |
| Formula |
C18H26O3 |
| InChI |
InChI=1S/C18H26O3/c1-4-5-6-8-11-14(2)21-18(20)17(15(3)19)16-12-9-7-10-13-16/h7,9-10,12-14,17H,4-6,8,11H2,1-3H3/t14-,17?/m1/s1 |
| InChIKey |
LQQQZYLKYGODGO-XPCCGILXSA-N |
| Molecular Weight |
290.403 g/mol |
| SMILES |
C(C(C(=O)C)C=1C=CC=CC1)(O[C@@](CCCCCC)(C)[H])=O |
