![3-Ethenyltricyclo[2.2.1.0(2,6)]heptane](/api/spectrum/JxC8AAinwps/structure.png?h=300&w=458 "3-Ethenyltricyclo[2.2.1.0(2,6)]heptane")
| SpectraBase Compound ID | 3tmkMcyAn5H |
|---|---|
| InChI | InChI=1S/C9H12/c1-2-6-5-3-7-8(4-5)9(6)7/h2,5-9H,1,3-4H2 |
| InChIKey | MYKZRKOXOASWGJ-UHFFFAOYSA-N |
| Mol Weight | 120.19 g/mol |
| Molecular Formula | C9H12 |
| Exact Mass | 120.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JxC8AAinwps |
|---|---|
| Name | 3-Ethenyltricyclo[2.2.1.0(2,6)]heptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.093900386 u |
| Formula | C9H12 |
| InChI | InChI=1S/C9H12/c1-2-6-5-3-7-8(4-5)9(6)7/h2,5-9H,1,3-4H2 |
| InChIKey | MYKZRKOXOASWGJ-UHFFFAOYSA-N |
| Molecular Weight | 120.195 g/mol |
| SMILES | C1(C2C3C2CC1C3)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881159 |