![Bicyclo[2.2.1]heptane-7-acetic acid, methyl ester](/api/spectrum/1wp5ROBAiN9/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane-7-acetic acid, methyl ester")
| SpectraBase Compound ID | 2R45Gao7FB2 |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-12-10(11)6-9-7-2-3-8(9)5-4-7/h7-9H,2-6H2,1H3 |
| InChIKey | PGPQNKZSRKQNQP-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1wp5ROBAiN9 |
|---|---|
| Name | Bicyclo[2.2.1]heptane-7-acetic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-12-10(11)6-9-7-2-3-8(9)5-4-7/h7-9H,2-6H2,1H3 |
| InChIKey | PGPQNKZSRKQNQP-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(CC(=O)OC)C2CCC1CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904984 |