SpectraBase Compound ID | KpMMktzPsOH |
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InChI | InChI=1S/C10H14O2/c1-8(11)10-5-3-9(4-6-10)7-12-2/h3-6,8,11H,7H2,1-2H3 |
InChIKey | PMLAIUQVVHCFKC-UHFFFAOYSA-N |
Mol Weight | 166.22 g/mol |
Molecular Formula | C10H14O2 |
Exact Mass | 166.09938 g/mol |
SpectraBase Spectrum ID | 1TyUzRlzFy3 |
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Name | Benzenemethanol, 4-(methoxymethyl)-.alpha.-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.099379689 u |
Formula | C10H14O2 |
InChI | InChI=1S/C10H14O2/c1-8(11)10-5-3-9(4-6-10)7-12-2/h3-6,8,11H,7H2,1-2H3 |
InChIKey | PMLAIUQVVHCFKC-UHFFFAOYSA-N |
Molecular Weight | 166.220 g/mol |
SMILES | COCC1=CC=C(C(C)O)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837624 |