| 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 |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8OmiR7dDc1w |
|---|---|
| Name | 2-(Phenylmethyl)-1,2-butanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89593 |