![7-Oxabicyclo[4.1.0]heptan-1-ol, acetate](/api/spectrum/7xEBClxJol0/structure.png?h=300&w=458 "7-Oxabicyclo[4.1.0]heptan-1-ol, acetate")
| SpectraBase Compound ID | 1aUxbviwk5t |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-6(9)10-8-5-3-2-4-7(8)11-8/h7H,2-5H2,1H3 |
| InChIKey | ZWIHBBOOXYYXNF-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7xEBClxJol0 |
|---|---|
| Name | 7-Oxabicyclo[4.1.0]heptan-1-ol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-6(9)10-8-5-3-2-4-7(8)11-8/h7H,2-5H2,1H3 |
| InChIKey | ZWIHBBOOXYYXNF-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C(OC12C(CCCC2)O1)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809579 |