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(2S,4aR,8aS)-2-(6,6-Dimethyl-bicyclo[3.1.1]hept-2-en-2-yl)-4-[1-iodo-meth-(E)-ylidene]-hexahydro-pyrano[2,3-b]pyran
SpectraBase Compound ID Avd0PUXTDBZ
InChI InChI=1S/C18H25IO2/c1-18(2)12-5-6-14(15(18)9-12)16-8-11(10-19)13-4-3-7-20-17(13)21-16/h6,10,12-13,15-17H,3-5,7-9H2,1-2H3/b11-10+/t12?,13-,15?,16+,17+/m1/s1
InChIKey YSXUVARXIULQNQ-SRVRKCPMSA-N
Mol Weight 400.3 g/mol
Molecular Formula C18H25IO2
Exact Mass 400.089925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL8vaMZmozh
Name (2S,4aR,8aS)-2-(6,6-Dimethyl-bicyclo[3.1.1]hept-2-en-2-yl)-4-[1-iodo-meth-(E)-ylidene]-hexahydro-pyrano[2,3-b]pyran
Alternate Name(s) (2S,4E,4aR,8aS)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-4-(iodomethylene)hexahydro-2H,5H-pyrano[2,3-b]pyran 2-(6,6-Diethylbicyclo[3.1.1]hept-2-en-2-yl)-4-(Iodomethylene)hexahydro-pyrano[2,3-b]pyran 2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-4-(Iodomethylene)hexahydro-pyrano[2,3-b]pyran
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Formula C18H25IO2
InChI InChI=1S/C18H25IO2/c1-18(2)12-5-6-14(15(18)9-12)16-8-11(10-19)13-4-3-7-20-17(13)21-16/h6,10,12-13,15-17H,3-5,7-9H2,1-2H3/b11-10+/t12?,13-,15?,16+,17+/m1/s1
InChIKey YSXUVARXIULQNQ-SRVRKCPMSA-N
Molecular Weight 400.300 g/mol
SMILES C12C([C@]3(O[C@@]4(OCCC[C@@]4(\C(C3)=C\I)[H])[H])[H])=CCC(C2)C1(C)C
SPLASH splash10-0079-2890000000-b3a9497614fe4882e09a
Source of Spectrum F-56-6487-23
Wiley ID 858253