| SpectraBase Compound ID | AaxGYNa3u25 |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-2-3-4-8-12(15)10-11-7-5-6-9-13(11)14(16)17/h5-7,9H,2-4,8,10H2,1H3,(H,16,17) |
| InChIKey | MGYDAKIAGSRRPF-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 | 9xTiAOWIBS7 |
|---|---|
| Name | 2-(2-Oxoheptyl)benzoic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-2-3-4-8-12(15)10-11-7-5-6-9-13(11)14(16)17/h5-7,9H,2-4,8,10H2,1H3,(H,16,17) |
| InChIKey | MGYDAKIAGSRRPF-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | OC(c1c(cccc1)CC(CCCCC)=O)=O |
| SPLASH | splash10-01ba-9820000000-9c157f93e9e2c0a6d74b |
| Source of Spectrum | Y1-37-367-3 |
| Wiley ID | 1527389 |