| SpectraBase Compound ID | KppEoravq3 |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-3-4-8-14-10-11-6-5-7-12(9-11)13-2/h5-7,9H,3-4,8,10H2,1-2H3 |
| InChIKey | LMLPYBKTRWBXFS-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 | 3qCJyQmwbDc |
|---|---|
| Name | (3-Methoxyphenyl) methanol, N-butyl 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/c1-3-4-8-14-10-11-6-5-7-12(9-11)13-2/h5-7,9H,3-4,8,10H2,1-2H3 |
| InChIKey | LMLPYBKTRWBXFS-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1=C(C=CC=C1COCCCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834289 |