| SpectraBase Compound ID | LZydUuhcBJZ |
|---|---|
| InChI | InChI=1S/C13H18O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3 |
| InChIKey | ONPYCUBGRGFJSW-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AlXGOtzb0ob |
|---|---|
| Name | 2-Phenylheptan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3 |
| InChIKey | ONPYCUBGRGFJSW-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(=O)(C(C1=CC=CC=C1)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926068 |