| SpectraBase Spectrum ID |
A8u7yZgtdBY |
| Name |
(1S,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H16O |
| GC Oven Program |
Oven temp 200oC |
| InChI |
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1 |
| InChIKey |
MQPHVIPKLRXGDJ-PRJMDXOYSA-N |
| Instrument Name |
Agilent 6890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.0c00669 |
| Molecular Weight |
152.237 g/mol |
| Optical Rotation |
[a]D23 = -20.2 (c = 1.0, EtOH) |
| SMILES |
[C@]12([C@](C(C[C@](C2(C)C)(C1)[H])=O)(C)[H])[H] |
| SPLASH |
splash10-053r-9000000000-7d9911298e96648e9135 |
| Source of Spectrum |
G4-83-SM4-5 |
| Synonyms |
(1S,2R,5R)- (-)-pinocamphone |
| Wiley ID |
1876859 |
![(1S,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one](/api/spectrum/A8u7yZgtdBY/structure.png?h=300&w=458 "(1S,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one")
