![2-[2-(2-oxohexyl)phenyl]acetic acid](/api/spectrum/39ApUC2TltY/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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 39ApUC2TltY |
|---|---|
| Name | 2-[2-(2-oxohexyl)phenyl]acetic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 | OC(Cc1c(CC(=O)CCCC)cccc1)=O |
| SPLASH | splash10-0f89-2900000000-a6871bb6c34fd670dd86 |
| Source of Spectrum | F4-40-2732-4 |
| Wiley ID | 1670889 |