SpectraBase Spectrum ID |
2v0lsAKYOZ9 |
Name |
Ethyl 1-hydroxy-5-methylbicyclo[3.2.1]octan-4-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.141244501 u |
Formula |
C12H20O3 |
InChI |
InChI=1S/C12H20O3/c1-3-15-10(13)9-4-5-12(14)7-6-11(9,2)8-12/h9,14H,3-8H2,1-2H3 |
InChIKey |
GGTJJDLFQIXPSF-UHFFFAOYSA-N |
Molecular Weight |
212.289 g/mol |
SMILES |
C12(C(C(=O)OCC)CCC(C2)(O)CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928329 |