| SpectraBase Compound ID | 3rdC79qobAa |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3 |
| InChIKey | UDIUFGIXIGLRSM-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4QiYN9vP7Qq |
|---|---|
| Name | 2,5-Bornanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3 |
| InChIKey | UDIUFGIXIGLRSM-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C1(=O)C2(CC(C(C1)C2(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.940757 |