| SpectraBase Spectrum ID |
KoasnKKZ5WK |
| Name |
Bicyclo[2.2.1]heptane-2-butanoic acid, .gamma.-hydroxy-3,3-dimethyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.188194694 u |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-4-18-13(17)8-7-12(16)14-10-5-6-11(9-10)15(14,2)3/h10-12,14,16H,4-9H2,1-3H3/t10-,11-,12?,14-/m0/s1 |
| InChIKey |
XLRFUCMWAVYXGW-XYXXDAQMSA-N |
| Molecular Weight |
254.370 g/mol |
| SMILES |
C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(C(CCC(=O)OCC)O)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961102 |
![Bicyclo[2.2.1]heptane-2-butanoic acid, .gamma.-hydroxy-3,3-dimethyl-, ethyl ester](/api/spectrum/KoasnKKZ5WK/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane-2-butanoic acid, .gamma.-hydroxy-3,3-dimethyl-, ethyl ester")
