| SpectraBase Spectrum ID |
EXiI07ORU4p |
| Name |
Bicyclo[3.1.0]hexan-3-one, 4-(hydroxymethyl)-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]- |
| Alternate Name(s) |
(1S,4S,5R)-4-(hydroxymethyl)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
4.beta.-(hydroxymethyl)thujone |
| CAS Registry Number |
74418-34-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-7(2)11-4-8(11)10(3,6-12)9(13)5-11/h7-8,12H,4-6H2,1-3H3/t8-,10+,11-/m0/s1 |
| InChIKey |
FMCMDEDOQJOCFX-GDPRMGEGSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
OC[C@@]1([C@]2([C@@](C2)(CC1=O)C(C)C)[H])C |
| SPLASH |
splash10-052f-5900000000-48a4b788aa90685852f8 |
| Source of Spectrum |
K-114-1998-0 |
| Wiley ID |
1178704 |
![Bicyclo[3.1.0]hexan-3-one, 4-(hydroxymethyl)-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-](/api/spectrum/EXiI07ORU4p/structure.png?h=300&w=458 "Bicyclo[3.1.0]hexan-3-one, 4-(hydroxymethyl)-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-")
