![Bicyclo[2.2.1]hept-1-ene](/api/spectrum/LSmsMzuLDnH/structure.png?h=300&w=458 "Bicyclo[2.2.1]hept-1-ene")
| SpectraBase Compound ID | JxeAdnQBaYF |
|---|---|
| InChI | InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1,7H,2-5H2/t7-/m1/s1 |
| InChIKey | VGUXWSJVGWCTEC-SSDOTTSWSA-N |
| Mol Weight | 94.16 g/mol |
| Molecular Formula | C7H10 |
| Exact Mass | 94.07825 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LSmsMzuLDnH |
|---|---|
| Name | Bicyclo[2.2.1]hept-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 94.078250322 u |
| Formula | C7H10 |
| InChI | InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1,7H,2-5H2/t7-/m1/s1 |
| InChIKey | VGUXWSJVGWCTEC-SSDOTTSWSA-N |
| Molecular Weight | 94.157 g/mol |
| SMILES | C12=CC[C@@](C2)(CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939025 |