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Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl-
SpectraBase Compound ID 4NoIA75wae1
InChI InChI=1S/C12H18/c1-8-7-11-5-6-12(8,4)10(3)9(11)2/h7,11H,5-6H2,1-4H3/t11-,12+/m0/s1
InChIKey AKVHDXDXXNIQJW-NWDGAFQWSA-N
Mol Weight 162.28 g/mol
Molecular Formula C12H18
Exact Mass 162.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7G1G8MQtTcD
Name Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 162.140850580 u
Formula C12H18
InChI InChI=1S/C12H18/c1-8-7-11-5-6-12(8,4)10(3)9(11)2/h7,11H,5-6H2,1-4H3/t11-,12+/m0/s1
InChIKey AKVHDXDXXNIQJW-NWDGAFQWSA-N
Molecular Weight 162.276 g/mol
SMILES C=1([C@@]2(C(C)=C([C@](C1)(CC2)[H])C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951523