| SpectraBase Compound ID | EMQLbS2MZoB |
|---|---|
| InChI | InChI=1S/C12H18O/c1-3-4-9-13-10-12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | VGGGYTKIMSSOER-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 | 4ERBP5Nmc9H |
|---|---|
| Name | (2-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/c1-3-4-9-13-10-12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | VGGGYTKIMSSOER-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(=CC=CC=C1COCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916225 |