| SpectraBase Compound ID | 6zdMR3Mpm2V |
|---|---|
| InChI | InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h17,19-20,24-25H,2-16,18H2,1H3 |
| InChIKey | DXRKLUVKXMAMOV-UHFFFAOYSA-N |
| Mol Weight | 348.6 g/mol |
| Molecular Formula | C23H40O2 |
| Exact Mass | 348.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlIdCgzfSm8 |
|---|---|
| Name | 3-Heptadecyl-1,2-benzenediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.302830526 u |
| Formula | C23H40O2 |
| InChI | InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h17,19-20,24-25H,2-16,18H2,1H3 |
| InChIKey | DXRKLUVKXMAMOV-UHFFFAOYSA-N |
| Molecular Weight | 348.571 g/mol |
| SMILES | C=1(C(=CC=CC1CCCCCCCCCCCCCCCCC)O)O |