| SpectraBase Spectrum ID |
7bE2UktICMH |
| Name |
(3S)-3-[(1R,3S,6R)-6-(2-Hydroxypropan-2-yl)-3-methyl-2-oxocycloheptyl]butanal |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-10(7-8-16)13-9-12(15(3,4)18)6-5-11(2)14(13)17/h8,10-13,18H,5-7,9H2,1-4H3/t10-,11-,12+,13+/m0/s1 |
| InChIKey |
MXYAXEMDTGTGQN-WUHRBBMRSA-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[C@@](C([C@](C1)([C@](CC=O)(C)[H])[H])=O)(C)[H])[H])(C)C |
| SPLASH |
splash10-0a59-9610000000-ddecb8e97afce3cdd055 |
| Source of Spectrum |
G4-78-144-25 |
| Wiley ID |
1865821 |
![(3S)-3-[(1R,3S,6R)-6-(2-Hydroxypropan-2-yl)-3-methyl-2-oxocycloheptyl]butanal](/api/spectrum/7bE2UktICMH/structure.png?h=300&w=458 "(3S)-3-[(1R,3S,6R)-6-(2-Hydroxypropan-2-yl)-3-methyl-2-oxocycloheptyl]butanal")
