| SpectraBase Compound ID | JAJeUcHNWkq |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-11(2,13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12-13H,8H2,1-2H3 |
| InChIKey | IZZXPXZRVVXKFU-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 | 6zyiblUnf9f |
|---|---|
| Name | 3-Methyl-1-phenylbutane-1,3-diol |
| 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/c1-11(2,13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12-13H,8H2,1-2H3 |
| InChIKey | IZZXPXZRVVXKFU-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C(C(C1=CC=CC=C1)O)C(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936794 |