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4,6-Guaiadien

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

4,6-Guaiadien
SpectraBase Compound ID H1B527pkaVm
InChI InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-11,14H,5-8H2,1-4H3/t11-,14-/m1/s1
InChIKey HLXDFKWNOTZIEI-BXUZGUMPSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID INhbwHbFVZg
Name 4,6-Guaiadien
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.187800773 u
Formula C15H24
InChI InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-11,14H,5-8H2,1-4H3/t11-,14-/m1/s1
InChIKey HLXDFKWNOTZIEI-BXUZGUMPSA-N
Molecular Weight 204.357 g/mol
SMILES C1CC(=CC2=C(CC[C@@]2([C@@]1(C)[H])[H])C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851654