| SpectraBase Spectrum ID |
4aKgebVu7Vp |
| Name |
Bicyclo[3.1.1]heptane-3-acetic acid, 6,6-dimethyl-2-methylene-, ethyl ester, [1R-(1.alpha.,3.alpha.,5.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-5-16-13(15)7-10-6-11-8-12(9(10)2)14(11,3)4/h10-12H,2,5-8H2,1,3-4H3/t10-,11-,12+/m1/s1 |
| InChIKey |
ZZMNHSRZYDVWBQ-UTUOFQBUSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@@]12(C([C@@](CC(=O)OCC)(C[C@@](C2)([H])C1(C)C)[H])=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881032 |
![Bicyclo[3.1.1]heptane-3-acetic acid, 6,6-dimethyl-2-methylene-, ethyl ester, [1R-(1.alpha.,3.alpha.,5.alpha.)]-](/api/spectrum/4aKgebVu7Vp/structure.png?h=300&w=458 "Bicyclo[3.1.1]heptane-3-acetic acid, 6,6-dimethyl-2-methylene-, ethyl ester, [1R-(1.alpha.,3.alpha.,5.alpha.)]-")
