![2-Oxabicyclo[4.3.1]decan-3-one, 5-methyl-, endo-(.+-.)-](/api/spectrum/1p01uTY8y1q/structure.png?h=300&w=458 "2-Oxabicyclo[4.3.1]decan-3-one, 5-methyl-, endo-(.+-.)-")
| SpectraBase Compound ID | HNzi8WBA0c3 |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-7-5-10(11)12-9-4-2-3-8(7)6-9/h7-9H,2-6H2,1H3 |
| InChIKey | XIIVCQVVPNMCBD-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1p01uTY8y1q |
|---|---|
| Name | 2-Oxabicyclo[4.3.1]decan-3-one, 5-methyl-, endo-(.+-.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-7-5-10(11)12-9-4-2-3-8(7)6-9/h7-9H,2-6H2,1H3 |
| InChIKey | XIIVCQVVPNMCBD-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(OC2CC(C(C1)C)CCC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942846 |