| SpectraBase Compound ID | 9157QetUBf8 |
|---|---|
| InChI | InChI=1S/C7H10O2/c8-7-5-1-3-6(9-7)4-2-5/h5-6H,1-4H2/t5-,6+ |
| InChIKey | NVORRKXXHHFWDH-OLQVQODUSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CUWNWZ0gEq3 |
|---|---|
| Name | 2-Oxabicyclo(2.2.2)-3-octanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c8-7-5-1-3-6(9-7)4-2-5/h5-6H,1-4H2/t5-,6+ |
| InChIKey | NVORRKXXHHFWDH-OLQVQODUSA-N |
| Molecular Weight | 126.155 g/mol |
| Nominal Mass | 126 u |
| SMILES | C1[C@]2(OC([C@@](C1)(CC2)[H])=O)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.979808 |