| SpectraBase Spectrum ID |
6gp2ZJvmnv3 |
| Name |
Bicyclo[3.1.0]hexane-6-carboxylic acid, 1,4,4-trimethyl-2-oxo-, methyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.109944372 u |
| Formula |
C11H16O3 |
| InChI |
InChI=1S/C11H16O3/c1-10(2)5-6(12)11(3)7(8(10)11)9(13)14-4/h7-8H,5H2,1-4H3/t7-,8-,11-/m1/s1 |
| InChIKey |
YCSWASMBBMOGOF-SOCHQFKDSA-N |
| Molecular Weight |
196.246 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)CC2=O)([H])[C@@]1(C(=O)OC)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832365 |
![Bicyclo[3.1.0]hexane-6-carboxylic acid, 1,4,4-trimethyl-2-oxo-, methyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-](/api/spectrum/6gp2ZJvmnv3/structure.png?h=300&w=458 "Bicyclo[3.1.0]hexane-6-carboxylic acid, 1,4,4-trimethyl-2-oxo-, methyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-")
