| SpectraBase Spectrum ID |
HJqWl7QQXgl |
| Name |
(2R,3S,6R)-6-(2-Hydroxypropan-2-yl)-3-methyl-2-(3-oxobutyl)cycloheptanone |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-10-5-7-12(15(3,4)18)9-14(17)13(10)8-6-11(2)16/h10,12-13,18H,5-9H2,1-4H3/t10-,12+,13+/m0/s1 |
| InChIKey |
UYXPDSAGXXKPIL-CYZMBNFOSA-N |
| Instrument Name |
Agilent Technologies 6890-5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np500819f |
| Molecular Weight |
254.370 g/mol |
| Reported Formula |
C15H26O3 |
| SMILES |
OC([C@]1(CC(=O)[C@@]([C@](CC1)(C)[H])(CCC(=O)C)[H])[H])(C)C |
| SPLASH |
splash10-0079-3940000000-213b2a1f947acbaccf93 |
| Source of Spectrum |
G4-78-143-20 |
| Wiley ID |
1865819 |
