| SpectraBase Compound ID | 4oc2zsTCv64 |
|---|---|
| InChI | InChI=1S/C12H14O/c13-7-6-10-8-12(9-10)11-4-2-1-3-5-11/h1-6,12-13H,7-9H2/b10-6- |
| InChIKey | ZTRSTKQCVHJRJS-POHAHGRESA-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 | 9fDn2N10PDA |
|---|---|
| Name | 2-(3'-Phenylcyclobutylidene)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/c13-7-6-10-8-12(9-10)11-4-2-1-3-5-11/h1-6,12-13H,7-9H2/b10-6- |
| InChIKey | ZTRSTKQCVHJRJS-POHAHGRESA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C1(CC(C1)C1=CC=CC=C1)=CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923774 |