| SpectraBase Compound ID | 8cTPy6cGJ7O |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h7-8,10H,2-6H2,1H3 |
| InChIKey | PLUKUDPETUOLLD-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 | 4vG9k4wRS0t |
|---|---|
| Name | 8-Methyloctahydrocoumarin |
| 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/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h7-8,10H,2-6H2,1H3 |
| InChIKey | PLUKUDPETUOLLD-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1CC(C2C(C1)CCC(O2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870017 |