| SpectraBase Spectrum ID |
85zmIo8xk4N |
| Name |
Bicyclo[3.1.0]hexane-2-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-oxo-, methyl ester, [1S-(1.alpha.,2.alpha.,5.alpha.)]- |
| Alternate Name(s) |
Methyl (1S,2S,5R)-5-isopropyl-2-methyl-3-oxobicyclo[3.1.0]hexane-2-carboxylate
Methylester of thujon-4.beta.-carboxlic acid |
| CAS Registry Number |
74418-37-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-7(2)12-5-8(12)11(3,9(13)6-12)10(14)15-4/h7-8H,5-6H2,1-4H3/t8-,11+,12-/m1/s1 |
| InChIKey |
LZLXTURAGMMICX-JFUSQASVSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
[C@]12([C@]([C@@](C(=O)OC)(C)C(C2)=O)([H])C1)C(C)C |
| SPLASH |
splash10-000i-0900000000-9cd9adb0b8bf1b4a8193 |
| Source of Spectrum |
K-114-1998-0 |
| Wiley ID |
1209162 |
![Bicyclo[3.1.0]hexane-2-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-oxo-, methyl ester, [1S-(1.alpha.,2.alpha.,5.alpha.)]-](/api/spectrum/85zmIo8xk4N/structure.png?h=300&w=458 "Bicyclo[3.1.0]hexane-2-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-oxo-, methyl ester, [1S-(1.alpha.,2.alpha.,5.alpha.)]-")
