![Spiro[5.5]undecane-3-carboxylic acid](/api/spectrum/575gZxPHFmL/structure.png?h=300&w=458 "Spiro[5.5]undecane-3-carboxylic acid")
| SpectraBase Compound ID | I3ofDVzHdaa |
|---|---|
| InChI | InChI=1S/C12H20O2/c13-11(14)10-4-8-12(9-5-10)6-2-1-3-7-12/h10H,1-9H2,(H,13,14) |
| InChIKey | IMZALJRIJNIAON-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 575gZxPHFmL |
|---|---|
| Name | Spiro[5.5]undecane-3-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c13-11(14)10-4-8-12(9-5-10)6-2-1-3-7-12/h10H,1-9H2,(H,13,14) |
| InChIKey | IMZALJRIJNIAON-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | OC(C1CCC2(CCCCC2)CC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.95969 |