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(1E,3E,5E)-1-chloranyl-7,7-dimethyl-octa-1,3,5-triene

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

(1E,3E,5E)-1-chloranyl-7,7-dimethyl-octa-1,3,5-triene
SpectraBase Compound ID GcRiRyAnBDn
InChI InChI=1S/C10H15Cl/c1-10(2,3)8-6-4-5-7-9-11/h4-9H,1-3H3/b5-4+,8-6+,9-7+
InChIKey NOITVXDIERLTAK-WUJFNTSISA-N
Mol Weight 170.68 g/mol
Molecular Formula C10H15Cl
Exact Mass 170.086228 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7JEO4sWRtle
Name (1E,3E,5E)-1-Chloranyl-7,7-dimethyl-octa-1,3,5-triene
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 170.086228183 u
Formula C10H15Cl
InChI InChI=1S/C10H15Cl/c1-10(2,3)8-6-4-5-7-9-11/h4-9H,1-3H3/b5-4+,8-6+,9-7+
InChIKey NOITVXDIERLTAK-WUJFNTSISA-N
Molecular Weight 170.683 g/mol
SMILES C(\C=C\C=C\C=C\Cl)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912508