![2-[2-(2-Oxohexyl)phenyl]acetic acid](/api/spectrum/FcTjN80Zvsq/structure.png?h=300&w=458 "2-[2-(2-Oxohexyl)phenyl]acetic acid")
| SpectraBase Compound ID | 4VLM3yydyJS |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-2-3-8-13(15)9-11-6-4-5-7-12(11)10-14(16)17/h4-7H,2-3,8-10H2,1H3,(H,16,17) |
| InChIKey | MPECGBJLPZBGLQ-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcTjN80Zvsq |
|---|---|
| Name | 2-[2-(2-Oxohexyl)phenyl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-2-3-8-13(15)9-11-6-4-5-7-12(11)10-14(16)17/h4-7H,2-3,8-10H2,1H3,(H,16,17) |
| InChIKey | MPECGBJLPZBGLQ-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C=1(C(CC(=O)CCCC)=CC=CC1)CC(=O)O |