| SpectraBase Compound ID | GLqy70rRFhe |
|---|---|
| InChI | InChI=1S/C25H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21-24(26)22(18-4-2)20-25(23)27/h20-21,26-27H,3-19H2,1-2H3 |
| InChIKey | GFNREXRCOAWRON-UHFFFAOYSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C25H44O2 |
| Exact Mass | 376.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Frf3AnO5SbB |
|---|---|
| Name | 1,4-Benzenediol, 2-hexadecyl-5-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.334130655 u |
| Formula | C25H44O2 |
| InChI | InChI=1S/C25H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21-24(26)22(18-4-2)20-25(23)27/h20-21,26-27H,3-19H2,1-2H3 |
| InChIKey | GFNREXRCOAWRON-UHFFFAOYSA-N |
| Molecular Weight | 376.625 g/mol |
| SMILES | CCCCCCCCCCCCCCCCC1=CC(O)=C(C=C1O)CCC |