| SpectraBase Compound ID | 8xylAI0BjIn |
|---|---|
| InChI | InChI=1S/C16H16O2/c17-16(18)15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,6,9,11H2,(H,17,18) |
| InChIKey | WTSQYIQCBHQOBC-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D81tOyJuZr2 |
|---|---|
| Name | Benzoic acid, 2-(3-phenylpropyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c17-16(18)15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,6,9,11H2,(H,17,18) |
| InChIKey | WTSQYIQCBHQOBC-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | OC(C1=C(C=CC=C1)CCCC1=CC=CC=C1)=O |