| SpectraBase Compound ID | 52y009Af4sL |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-9-5-6-10(4-3-7-12)8-11(9)13-2/h5-6,8,12H,3-4,7H2,1-2H3 |
| InChIKey | XHUFCXIYFOCUDO-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 | JA2GNpqL2u1 |
|---|---|
| Name | 3-(3-Methoxy-4-methylphenyl)-1-propanol |
| 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/c1-9-5-6-10(4-3-7-12)8-11(9)13-2/h5-6,8,12H,3-4,7H2,1-2H3 |
| InChIKey | XHUFCXIYFOCUDO-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C=1(C(=CC=C(C1)CCCO)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968713 |