| SpectraBase Compound ID | 2TvLLarN4nN |
|---|---|
| InChI | InChI=1S/C14H18O3/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8-9H,1-2,6-7,10-11H2,(H,16,17) |
| InChIKey | UMCSRRHQLAVYRS-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 | 8zr3ghscl0x |
|---|---|
| Name | 7-Benzoylheptanoic 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/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8-9H,1-2,6-7,10-11H2,(H,16,17) |
| InChIKey | UMCSRRHQLAVYRS-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | OC(CCCCCCC(C1=CC=CC=C1)=O)=O |