![2-[2",3"-Butadienyl)]ethanol](/api/spectrum/AKso3iIygOK/structure.png?h=300&w=458 "2-[2\",3\"-Butadienyl)]ethanol")
| SpectraBase Compound ID | 3aiE8xUC5fP |
|---|---|
| InChI | InChI=1S/C12H14O/c1-2-3-6-11-7-4-5-8-12(11)9-10-13/h3-5,7-8,13H,1,6,9-10H2 |
| InChIKey | XLUBJAKPOBTWBC-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AKso3iIygOK |
|---|---|
| Name | 2-[2'',3''-Butadienyl)]ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-2-3-6-11-7-4-5-8-12(11)9-10-13/h3-5,7-8,13H,1,6,9-10H2 |
| InChIKey | XLUBJAKPOBTWBC-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(=C=C)CC=1C(CCO)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911137 |