| SpectraBase Compound ID | 8YqndilCKeX |
|---|---|
| InChI | InChI=1S/C13H18O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3 |
| InChIKey | OFTHNFJNLGTFTO-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQFmCXo30At |
|---|---|
| Name | 2-Heptanone, 7-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3 |
| InChIKey | OFTHNFJNLGTFTO-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(CC1=CC=CC=C1)CCCC(C)=O |