| SpectraBase Compound ID | AoU72YWrlS7 |
|---|---|
| InChI | InChI=1S/C12H14/c1-2-10-8-12(9-10)11-6-4-3-5-7-11/h2-7,12H,8-9H2,1H3/b10-2- |
| InChIKey | MTTLZMFGFVPCEG-SGAXSIHGSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6olw793Ffhg |
|---|---|
| Name | 1-Ethylidene-3-phenylcyclobutan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-2-10-8-12(9-10)11-6-4-3-5-7-11/h2-7,12H,8-9H2,1H3/b10-2- |
| InChIKey | MTTLZMFGFVPCEG-SGAXSIHGSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C1(CC(C1)C=1C=CC=CC1)=CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982634 |