SpectraBase Compound ID | 8xfVRHOvQHp |
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InChI | InChI=1S/C11H16O2/c1-3-11(12)9-5-7-10(8-6-9)13-4-2/h5-8,11-12H,3-4H2,1-2H3 |
InChIKey | BJTFSJALTYYMKU-UHFFFAOYSA-N |
Mol Weight | 180.25 g/mol |
Molecular Formula | C11H16O2 |
Exact Mass | 180.11503 g/mol |
SpectraBase Spectrum ID | ASdnxb8Vnh5 |
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Name | 1-(4-Ethoxyphenyl)propan-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.115029753 u |
Formula | C11H16O2 |
InChI | InChI=1S/C11H16O2/c1-3-11(12)9-5-7-10(8-6-9)13-4-2/h5-8,11-12H,3-4H2,1-2H3 |
InChIKey | BJTFSJALTYYMKU-UHFFFAOYSA-N |
Molecular Weight | 180.247 g/mol |
SMILES | C1=CC(=CC=C1OCC)C(O)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945719 |