| SpectraBase Compound ID | 1jtc0y0uq6Q |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-3-11(12-7-5-4-6-8-12)9-13(15)10-14(16)17-2/h4-8,11H,3,9-10H2,1-2H3 |
| InChIKey | BQWFLKVHOODGHN-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DXYnOdTm0qZ |
|---|---|
| Name | Methyl 3-oxo-5-phenylheptanoate |
| CAS Registry Number | 102836-26-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-3-11(12-7-5-4-6-8-12)9-13(15)10-14(16)17-2/h4-8,11H,3,9-10H2,1-2H3 |
| InChIKey | BQWFLKVHOODGHN-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(C(=O)OC)C(CC(c1ccccc1)CC)=O |
| SPLASH | splash10-0gb9-0910000000-010fd8be81855bd9a12e |
| Source of Spectrum | C-108-7692-18 |
| Wiley ID | 1236117 |