![3-Methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid](/api/spectrum/I4oJ3U7rfhf/structure.png?h=300&w=458 "3-Methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid")
| SpectraBase Compound ID | 6YwrcbCeChO |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-12-6(11)8-2-7(3-8,4-8)5(9)10/h2-4H2,1H3,(H,9,10) |
| InChIKey | UJZHYIMESNWEQA-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I4oJ3U7rfhf |
|---|---|
| Name | 3-Methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.057908798 u |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c1-12-6(11)8-2-7(3-8,4-8)5(9)10/h2-4H2,1H3,(H,9,10) |
| InChIKey | UJZHYIMESNWEQA-UHFFFAOYSA-N |
| SMILES | C12(CC(C2)(C(=O)OC)C1)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851788 |