| SpectraBase Compound ID | 9u3mZGaROnP |
|---|---|
| InChI | InChI=1S/C12H16O/c1-10-6-7-12-11(9-10)5-3-2-4-8-13-12/h6-7,9H,2-5,8H2,1H3 |
| InChIKey | PXOCNASZXUPNHM-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EmHbEZuX4FM |
|---|---|
| Name | 8-Methyl-3,4,5,6-tetrahydro-2H-1-benzoxocin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-10-6-7-12-11(9-10)5-3-2-4-8-13-12/h6-7,9H,2-5,8H2,1H3 |
| InChIKey | PXOCNASZXUPNHM-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C=12C(OCCCCC2)=CC=C(C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975394 |