| SpectraBase Compound ID | IX35OBJqK2k |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-18-13(10-11-6-3-2-4-7-11)12(15)8-5-9-14(16)17/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17) |
| InChIKey | IGUUCRVYSCOWAJ-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9fS0M2IgaH |
|---|---|
| Name | 6-Methoxy-5-oxo-7-phenylheptanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-18-13(10-11-6-3-2-4-7-11)12(15)8-5-9-14(16)17/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17) |
| InChIKey | IGUUCRVYSCOWAJ-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C(=O)(O)CCCC(C(CC=1C=CC=CC1)OC)=O |