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Cyclobutene, 4,4-dimethyl-1-(2,7-octadienyl)-

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Cyclobutene, 4,4-dimethyl-1-(2,7-octadienyl)-
SpectraBase Compound ID L1og7Uuz9cx
InChI InChI=1S/C14H22/c1-4-5-6-7-8-9-10-13-11-12-14(13,2)3/h4,8-9,11H,1,5-7,10,12H2,2-3H3/b9-8+
InChIKey OVLRTDUBDSGRDR-CMDGGOBGSA-N
Mol Weight 190.33 g/mol
Molecular Formula C14H22
Exact Mass 190.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FWcRFMlXZAN
Name Cyclobutene, 4,4-dimethyl-1-(2,7-octadienyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.172150708 u
Formula C14H22
InChI InChI=1S/C14H22/c1-4-5-6-7-8-9-10-13-11-12-14(13,2)3/h4,8-9,11H,1,5-7,10,12H2,2-3H3/b9-8+
InChIKey OVLRTDUBDSGRDR-CMDGGOBGSA-N
Molecular Weight 190.330 g/mol
SMILES C(\C=C\CCCC=C)C=1C(C)(C)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926904