| SpectraBase Compound ID | 2mxaGIClXBD |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-9(6-7-13)10-4-5-11(14-2)12(8-10)15-3/h4-5,8-9,13H,6-7H2,1-3H3 |
| InChIKey | KJWJLTNYUPAYBB-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 | 9zMZswbdQhb |
|---|---|
| Name | 3-(3,4-Dimethoxyphenyl)butan-1-ol |
| 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/c1-9(6-7-13)10-4-5-11(14-2)12(8-10)15-3/h4-5,8-9,13H,6-7H2,1-3H3 |
| InChIKey | KJWJLTNYUPAYBB-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C=1C(=CC=C(C1OC)OC)C(CCO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988786 |