| SpectraBase Compound ID | FflyjRHSBeR |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h4-6,9,12H,2-3,7H2,1H3 |
| InChIKey | JDNZZHLJFNDNMX-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JGhHqfv8wcG |
|---|---|
| Name | 1-(3,4-Methylenedioxyphenyl)butan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h4-6,9,12H,2-3,7H2,1H3 |
| InChIKey | JDNZZHLJFNDNMX-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C1=2C(=CC=C(C(CCC)O)C2)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973149 |