![(1S,6S)-7-Oxabicyclo[4.3.0]nonan-8-one](/api/spectrum/Ftv9vzUuyvF/structure.png?h=300&w=458 "(1S,6S)-7-Oxabicyclo[4.3.0]nonan-8-one")
| SpectraBase Compound ID | FV80Gd1hPvX |
|---|---|
| InChI | InChI=1S/C8H12O2/c9-8-5-6-3-1-2-4-7(6)10-8/h6-7H,1-5H2/t6-,7-/m0/s1 |
| InChIKey | AQKZNTBBGPQPBG-BQBZGAKWSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ftv9vzUuyvF |
|---|---|
| Name | (1S,6S)-7-Oxabicyclo[4.3.0]nonan-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c9-8-5-6-3-1-2-4-7(6)10-8/h6-7H,1-5H2/t6-,7-/m0/s1 |
| InChIKey | AQKZNTBBGPQPBG-BQBZGAKWSA-N |
| SMILES | C1(O[C@@]2([C@](C1)(CCCC2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937203 |