| SpectraBase Compound ID | AafTtSFhO15 |
|---|---|
| InChI | InChI=1S/C17H24O2/c1-3-8-13-11-7-12-17(2,19)15(13)16(18)14-9-5-4-6-10-14/h4-6,9-10,13,15,19H,3,7-8,11-12H2,1-2H3/t13-,15-,17-/m1/s1 |
| InChIKey | QTQWWAWMNXQSTQ-FRFSOERESA-N |
| Mol Weight | 260.38 g/mol |
| Molecular Formula | C17H24O2 |
| Exact Mass | 260.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8GI3Jjmot18 |
|---|---|
| Name | (2-Hydroxy-2-methyl-6-propylcyclohexyl)(phenyl)methanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.177630011 u |
| Formula | C17H24O2 |
| InChI | InChI=1S/C17H24O2/c1-3-8-13-11-7-12-17(2,19)15(13)16(18)14-9-5-4-6-10-14/h4-6,9-10,13,15,19H,3,7-8,11-12H2,1-2H3/t13-,15-,17-/m1/s1 |
| InChIKey | QTQWWAWMNXQSTQ-FRFSOERESA-N |
| Molecular Weight | 260.377 g/mol |
| SMILES | [C@@]1(C)(O)[C@]([C@@](CCC1)(CCC)[H])(C(=O)C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906595 |