| SpectraBase Compound ID | HxsiP9jBvVm |
|---|---|
| InChI | InChI=1S/C13H20/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12H,1,3-9H2 |
| InChIKey | GTTBINDPHWHJKF-UHFFFAOYSA-N |
| Mol Weight | 176.3 g/mol |
| Molecular Formula | C13H20 |
| Exact Mass | 176.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EP2lfPkxmgz |
|---|---|
| Name | 1-Allyladamantane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.156500644 u |
| Formula | C13H20 |
| InChI | InChI=1S/C13H20/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12H,1,3-9H2 |
| InChIKey | GTTBINDPHWHJKF-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | C12(CC3CC(C2)CC(C1)C3)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971321 |