| SpectraBase Compound ID | IR38j2NUC9c |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(27)28-24-23-25-20-17-16-18-21-25/h16-18,20-21H,2-15,19,22-24H2,1H3 |
| InChIKey | NEPWYQKPLAOWOC-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C26H44O2 |
| Exact Mass | 388.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oscb5gzbQR |
|---|---|
| Name | Phenethyl stearate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.334130655 u |
| Formula | C26H44O2 |
| InChI | InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(27)28-24-23-25-20-17-16-18-21-25/h16-18,20-21H,2-15,19,22-24H2,1H3 |
| InChIKey | NEPWYQKPLAOWOC-UHFFFAOYSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCC)(=O)OCCC1=CC=CC=C1 |