![Tricyclo[10.3.1.0(1,12)]hexadecan-13-one](/api/spectrum/JJKO6QRvH7a/structure.png?h=300&w=458 "Tricyclo[10.3.1.0(1,12)]hexadecan-13-one")
| SpectraBase Compound ID | LUWN1ROpog0 |
|---|---|
| InChI | InChI=1S/C16H26O/c17-14-9-12-15-10-7-5-3-1-2-4-6-8-11-16(14,15)13-15/h1-13H2 |
| InChIKey | GHOOFSKOUFPICV-UHFFFAOYSA-N |
| Mol Weight | 234.38 g/mol |
| Molecular Formula | C16H26O |
| Exact Mass | 234.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JJKO6QRvH7a |
|---|---|
| Name | Tricyclo[10.3.1.0(1,12)]hexadecan-13-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.198365456 u |
| Formula | C16H26O |
| InChI | InChI=1S/C16H26O/c17-14-9-12-15-10-7-5-3-1-2-4-6-8-11-16(14,15)13-15/h1-13H2 |
| InChIKey | GHOOFSKOUFPICV-UHFFFAOYSA-N |
| Molecular Weight | 234.383 g/mol |
| SMILES | C1CCCCCC23CC3(CCCC1)CCC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953539 |