| SpectraBase Compound ID | 1uFzBJvIaaL |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3 |
| InChIKey | CLCWBIKVZDPOPD-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XAwlCraSbT |
|---|---|
| Name | 1,4-Pentanediol, 1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3 |
| InChIKey | CLCWBIKVZDPOPD-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1=CC(C(CCC(O)C)O)=CC=C1 |