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rel-(3aS,7aR,E)-2-(Iodo(phenyl)methylene)-3a-methylhexahydro-1H-inden-4(2H)-one
SpectraBase Compound ID 2rjJIUt98Kc
InChI InChI=1S/C17H19IO/c1-17-11-13(10-14(17)8-5-9-15(17)19)16(18)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3/b16-13+/t14-,17+/m1/s1
InChIKey QULZJBCFRVXSIG-CRGYSLNVSA-N
Mol Weight 366.24 g/mol
Molecular Formula C17H19IO
Exact Mass 366.04806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiRHEN2RjG9
Name rel-(3aS,7aR,E)-2-(Iodo(phenyl)methylene)-3a-methylhexahydro-1H-inden-4(2H)-one
Appearance Colorless oil
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Exact Mass 366.048060231 u
Formula C17H19IO
InChI InChI=1S/C17H19IO/c1-17-11-13(10-14(17)8-5-9-15(17)19)16(18)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3/b16-13+/t14-,17+/m1/s1
InChIKey QULZJBCFRVXSIG-CRGYSLNVSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo302751p
Molecular Weight 366.242 g/mol
Quality 130
Reported Formula C17H19OI
SMILES C1C([C@@]2([C@](CC1)(C\C(C2)=C\(I)C1=CC=CC=C1)[H])C)=O
SPLASH splash10-00ko-2891000000-527eb47f8a2c9b90747e
Source of Spectrum JOC-78-2783-6k (DOI: 10.1021/jo302751p)
Thin-Layer Chromatography 0.32 (petrolether/Et2O, 8:2)
Wiley ID 1912403