| SpectraBase Compound ID | FwxHayitd3S |
|---|---|
| InChI | InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-16-19-22(4-2)25-23(24)20-21-17-14-13-15-18-21/h13-15,17-18,22H,3-12,16,19-20H2,1-2H3 |
| InChIKey | HWJZQKSNIPTYJP-UHFFFAOYSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C23H38O2 |
| Exact Mass | 346.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HT3Y8ICVrtl |
|---|---|
| Name | Benzeneacetic acid, 3-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.287180462 u |
| Formula | C23H38O2 |
| InChI | InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-16-19-22(4-2)25-23(24)20-21-17-14-13-15-18-21/h13-15,17-18,22H,3-12,16,19-20H2,1-2H3 |
| InChIKey | HWJZQKSNIPTYJP-UHFFFAOYSA-N |
| Molecular Weight | 346.555 g/mol |
| SMILES | C1=CC(CC(OC(CCCCCCCCCCCC)CC)=O)=CC=C1 |