| SpectraBase Compound ID | 96tyRCevmAT |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-15-12-9-10(6-7-11(12)14)5-3-2-4-8-13/h6-7,9,13-14H,2-5,8H2,1H3 |
| InChIKey | XFGMFQMWNSHOLU-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9y2NkWnyMBu |
|---|---|
| Name | 4-(5-Hydroxypentyl)-2-methoxyphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-15-12-9-10(6-7-11(12)14)5-3-2-4-8-13/h6-7,9,13-14H,2-5,8H2,1H3 |
| InChIKey | XFGMFQMWNSHOLU-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C=1(C(=CC(=CC1)CCCCCO)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966069 |