| SpectraBase Compound ID | CgyNTusIvyf |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-2-3-5-11-15(17)12-8-13-19-16(18)14-9-6-4-7-10-14/h3-7,9-10,15,17H,2,8,11-13H2,1H3/b5-3+ |
| InChIKey | SNZDGEJBNXDUOT-HWKANZROSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41GtamCtcmo |
|---|---|
| Name | Punicanyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-2-3-5-11-15(17)12-8-13-19-16(18)14-9-6-4-7-10-14/h3-7,9-10,15,17H,2,8,11-13H2,1H3/b5-3+ |
| InChIKey | SNZDGEJBNXDUOT-HWKANZROSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C=1C=CC=C(C1)C(OCCCC(C\C=C\CC)O)=O |