| SpectraBase Compound ID | Js2Li4ABbUh |
|---|---|
| InChI | InChI=1S/C13H16/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2 |
| InChIKey | PSXRZGCRHVKJIA-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GLharDd4oWF |
|---|---|
| Name | Cyclohexylidenemethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2 |
| InChIKey | PSXRZGCRHVKJIA-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C=1C(C=C2CCCCC2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94544 |