| SpectraBase Compound ID | HVZAzbcWRD3 |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-14-11-7-6-10(5-3-4-8-13)9-12(11)15-2/h6-7,9,13H,3-5,8H2,1-2H3 |
| InChIKey | HGTHHDQDYLRWAH-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BxbwSBWzyBN |
|---|---|
| Name | 4-(3,4-Dimethoxyphenyl)-1-butanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-14-11-7-6-10(5-3-4-8-13)9-12(11)15-2/h6-7,9,13H,3-5,8H2,1-2H3 |
| InChIKey | HGTHHDQDYLRWAH-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C=1(C(=CC=C(C1)CCCCO)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987653 |