| SpectraBase Compound ID | 91iDxHbHXTO |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-10(2)12(13)9-14-8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3 |
| InChIKey | DCKLZVQIWHKUBN-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IcJGOjlideG |
|---|---|
| Name | 2-Butanol, 1-benzyloxy-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-10(2)12(13)9-14-8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3 |
| InChIKey | DCKLZVQIWHKUBN-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1=CC(COCC(O)C(C)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913876 |