| SpectraBase Compound ID | CezQftaUWYi |
|---|---|
| InChI | InChI=1S/C12H14/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h2-4,6-7,10H,1,5,8-9H2 |
| InChIKey | CXZAUYYPQAQXLO-UHFFFAOYSA-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 | 4ozxoIEHYBn |
|---|---|
| Name | 2-Allylindane |
| 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/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h2-4,6-7,10H,1,5,8-9H2 |
| InChIKey | CXZAUYYPQAQXLO-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C12=C(CC(C2)CC=C)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941354 |