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1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)-
SpectraBase Compound ID H6q0xx9alVu
InChI InChI=1S/C12H18/c1-3-11(2)12-9-7-5-4-6-8-10-12/h3,5,7-8,10-12H,1,4,6,9H2,2H3/b7-5-,10-8-
InChIKey XDAVQTXWOCTEPO-RRMOSLQNSA-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 DzWPtNctY1p
Name 1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)-
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/c1-3-11(2)12-9-7-5-4-6-8-10-12/h3,5,7-8,10-12H,1,4,6,9H2,2H3/b7-5-,10-8-
InChIKey XDAVQTXWOCTEPO-RRMOSLQNSA-N
Molecular Weight 162.276 g/mol
SMILES C1\C=C/CC\C=C/C1C(C=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985817