| SpectraBase Compound ID | 5LPf6GvyUev |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-2-11(13,9-12)8-10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3 |
| InChIKey | FKKQTTOHODUQAN-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C9QYuJytj0H |
|---|---|
| Name | 2-(Phenylmethyl)-1,2-butanediol |
| 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/c1-2-11(13,9-12)8-10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3 |
| InChIKey | FKKQTTOHODUQAN-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C(C(CC)(O)CC=1C=CC=CC1)O |