| SpectraBase Compound ID | BfPSdYRSsHs |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-15-11-7-5-10(6-8-11)12(14)4-2-3-9-13/h5-8,12-14H,2-4,9H2,1H3 |
| InChIKey | HCMQBEAFBDZDFZ-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Qtop2DjUAS |
|---|---|
| Name | 1-(4-Methoxyphenyl)-1,5-pentanediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-15-11-7-5-10(6-8-11)12(14)4-2-3-9-13/h5-8,12-14H,2-4,9H2,1H3 |
| InChIKey | HCMQBEAFBDZDFZ-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | COC=1C=CC(C(O)CCCCO)=CC1 |