| SpectraBase Compound ID | CciFKLGCDMk |
|---|---|
| InChI | InChI=1S/C11H12/c1-9-5-2-3-8-11(9)10-6-4-7-10/h2-3,5-6,8H,4,7H2,1H3 |
| InChIKey | CCRRGUWQCMIVHH-UHFFFAOYSA-N |
| Mol Weight | 144.22 g/mol |
| Molecular Formula | C11H12 |
| Exact Mass | 144.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 85zGDrsBDQb |
|---|---|
| Name | 1-(1-Cyclobutenyl)-2-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.093900386 u |
| Formula | C11H12 |
| InChI | InChI=1S/C11H12/c1-9-5-2-3-8-11(9)10-6-4-7-10/h2-3,5-6,8H,4,7H2,1H3 |
| InChIKey | CCRRGUWQCMIVHH-UHFFFAOYSA-N |
| Molecular Weight | 144.217 g/mol |
| SMILES | C1(C=2C(C)=CC=CC2)=CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962003 |