| SpectraBase Compound ID | J4gqQdy7Kpm |
|---|---|
| InChI | InChI=1S/C12H16O/c1-10(11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | RNQMTWRCPAGMEO-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DN5R0CMG2R |
|---|---|
| Name | 3-Methyl-5-phenyl-2-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-10(11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | RNQMTWRCPAGMEO-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | CC(C(CCC=1C=CC=CC1)C)=O |