| SpectraBase Compound ID | KpXZLQ6dRir |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-3-4-5-9-14-12-8-6-7-11(10-12)13-2/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | ZMEYAQYGNVBMKR-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 | CElHXVWgnCh |
|---|---|
| Name | 3-Methoxyphenol, pentyl ether |
| 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/c1-3-4-5-9-14-12-8-6-7-11(10-12)13-2/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | ZMEYAQYGNVBMKR-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1=C(OCCCCC)C=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836852 |