SpectraBase Compound ID | 9QphkVBtlsi |
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InChI | InChI=1S/C11H16O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9,12H,4H2,1-3H3 |
InChIKey | NMYXSFKGIICIIM-UHFFFAOYSA-N |
Mol Weight | 196.25 g/mol |
Molecular Formula | C11H16O3 |
Exact Mass | 196.109944 g/mol |
SpectraBase Spectrum ID | GqRf0emQ1cG |
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Name | 3,4-Dimethoxy-alpha-ethylbenzyl alcohol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.109944372 u |
Formula | C11H16O3 |
InChI | InChI=1S/C11H16O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9,12H,4H2,1-3H3 |
InChIKey | NMYXSFKGIICIIM-UHFFFAOYSA-N |
Molecular Weight | 196.246 g/mol |
SMILES | OC(C1=CC=C(C(=C1)OC)OC)CC |
Spectrum/Structure Validation Score (Raman) | 0.966436 |