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3-Iodo-2-(3,7-duimethyl-1-prop-2-ynylocta-2,6-dienyloxy)tetrapyran isomer
SpectraBase Compound ID AYn3TYwZLzO
InChI InChI=1S/C18H27IO2/c1-5-8-16(13-15(4)10-6-9-14(2)3)21-18-17(19)11-7-12-20-18/h1,9,13,16-18H,6-8,10-12H2,2-4H3/b15-13+/t16-,17+,18-/m0/s1
InChIKey JMKKPFKKOFTYKT-VYQCRNLYSA-N
Mol Weight 402.32 g/mol
Molecular Formula C18H27IO2
Exact Mass 402.105575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOtibagbZRI
Name 3-Iodo-2-(3,7-duimethyl-1-prop-2-ynylocta-2,6-dienyloxy)tetrapyran isomer
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Formula C18H27IO2
InChI InChI=1S/C18H27IO2/c1-5-8-16(13-15(4)10-6-9-14(2)3)21-18-17(19)11-7-12-20-18/h1,9,13,16-18H,6-8,10-12H2,2-4H3/b15-13+/t16-,17+,18-/m0/s1
InChIKey JMKKPFKKOFTYKT-VYQCRNLYSA-N
Molecular Weight 402.316 g/mol
SMILES [C@]1(O[C@](\C=C\(CCC=C(C)C)C)(CC#C)[H])(OCCC[C@]1(I)[H])[H]
SPLASH splash10-03di-8490000000-0bb9d5b0f80a862b3b51
Source of Spectrum F-56-6484-3
Synonyms (2S,3R)-2-((E)-(S)-3,7-Dimethyl-1-prop-2-ynyl-octa-2,6-dienyloxy)-3-iodo-tetrahydro-pyran 3-Iodo-2-(3,7-dimethyl-1-prop-2-ynylocta-2,6-dienyloxy)tetrapyran isomer
Wiley ID 858275