![6-Oxabicyclo[3.2.0]heptane](/api/spectrum/36RZujYLDsu/structure.png?h=300&w=458 "6-Oxabicyclo[3.2.0]heptane")
| SpectraBase Compound ID | 87XfhBPialt |
|---|---|
| InChI | InChI=1S/C6H10O/c1-2-5-4-7-6(5)3-1/h5-6H,1-4H2/t5-,6-/m1/s1 |
| InChIKey | HTKBROUQTNFQGW-PHDIDXHHSA-N |
| Mol Weight | 98.14 g/mol |
| Molecular Formula | C6H10O |
| Exact Mass | 98.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 36RZujYLDsu |
|---|---|
| Name | 6-Oxabicyclo[3.2.0]heptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.073164941 u |
| Formula | C6H10O |
| InChI | InChI=1S/C6H10O/c1-2-5-4-7-6(5)3-1/h5-6H,1-4H2/t5-,6-/m1/s1 |
| InChIKey | HTKBROUQTNFQGW-PHDIDXHHSA-N |
| Molecular Weight | 98.145 g/mol |
| SMILES | [C@@]12(OC[C@]1(CCC2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94621 |