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3-Iodo-2-(3,7-duimethyl-1-prop-2-ynylocta-2,6-dienyloxy)tetrapyran isomer
SpectraBase Compound ID 4II9u1ANNOe
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/t16-,17-,18+/m1/s1
InChIKey JMKKPFKKOFTYKT-KURKYZTESA-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 KYxoBot59sO
Name 3-Iodo-2-(3,7-duimethyl-1-prop-2-ynylocta-2,6-dienyloxy)tetrapyran isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/t16-,17-,18+/m1/s1
InChIKey JMKKPFKKOFTYKT-KURKYZTESA-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 splash10-03e9-9580000000-5eb06c12c4c97454a520
Source of Spectrum F-56-6484-5
Synonyms (2S,3R)-2-((R)-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 858274