| SpectraBase Compound ID | GaXASwU6WH0 |
|---|---|
| InChI | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) |
| InChIKey | WLJVNTCWHIRURA-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EXzTN8OpwF6 |
|---|---|
| Name | Pimelic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.073558862 u |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) |
| InChIKey | WLJVNTCWHIRURA-UHFFFAOYSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | OC(CCCCCC(=O)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.759209 |