| SpectraBase Compound ID | 4tbsWDZY9P |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-3-7-13-9-10-5-4-6-11(8-10)12-2/h4-6,8H,3,7,9H2,1-2H3 |
| InChIKey | SWQRNWLUENXRGB-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 | 74GIFt2UE6e |
|---|---|
| Name | (3-Methoxyphenyl) methanol, N-propyl |
| 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/c1-3-7-13-9-10-5-4-6-11(8-10)12-2/h4-6,8H,3,7,9H2,1-2H3 |
| InChIKey | SWQRNWLUENXRGB-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1=C(C=CC=C1COCCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871279 |