| SpectraBase Compound ID | f3ZKSN52pv |
|---|---|
| InChI | InChI=1S/C9H16/c1-2-8-5-7-3-4-9(8)6-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m1/s1 |
| InChIKey | DEMFSGPWYVAINM-HRDYMLBCSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FOkV9tgpleU |
|---|---|
| Name | Bicyclo[2.2.1]heptane, 2-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.125200515 u |
| Formula | C9H16 |
| InChI | InChI=1S/C9H16/c1-2-8-5-7-3-4-9(8)6-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m1/s1 |
| InChIKey | DEMFSGPWYVAINM-HRDYMLBCSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | CC[C@@]1([C@]2(C[C@@](C1)(CC2)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925811 |