| SpectraBase Compound ID | BtGDRMnoAAx |
|---|---|
| InChI | InChI=1S/C12H18O/c1-3-4-8-13-10-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3 |
| InChIKey | LZLXCRULGUUVAY-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2kgnPE8qoah |
|---|---|
| Name | (3-Methylphenyl) methanol, N-butyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-3-4-8-13-10-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3 |
| InChIKey | LZLXCRULGUUVAY-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1=C(C=CC=C1COCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915349 |