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5-Ethylbicyclo[2.2.1]hept-2-ene

View entire compound with spectra: 1 FTIR

5-Ethylbicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID IkXnaA5RkLf
InChI InChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h3-4,7-9H,2,5-6H2,1H3/t7-,8+,9-/m1/s1
InChIKey QHJIJNGGGLNBNJ-HRDYMLBCSA-N
Mol Weight 122.21 g/mol
Molecular Formula C9H14
Exact Mass 122.10955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KxtpUqOwIFv
Name 5-Ethylbicyclo[2.2.1]hept-2-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 122.109550451 u
Formula C9H14
InChI InChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h3-4,7-9H,2,5-6H2,1H3/t7-,8+,9-/m1/s1
InChIKey QHJIJNGGGLNBNJ-HRDYMLBCSA-N
Molecular Weight 122.211 g/mol
SMILES C=1[C@]2([C@](C[C@@](C1)(C2)[H])(CC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955197