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rel-(3aS,7aR,E)-2-(Iodomethylene)-3a-methylhexahydro-1H-inden-4(2H)-one
SpectraBase Compound ID 4aOQegxK3Xu
InChI InChI=1S/C11H15IO/c1-11-6-8(7-12)5-9(11)3-2-4-10(11)13/h7,9H,2-6H2,1H3/b8-7+/t9-,11+/m1/s1
InChIKey DOFKFMNUSMNEJZ-KLCSSHHSSA-N
Mol Weight 290.14 g/mol
Molecular Formula C11H15IO
Exact Mass 290.01676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZJWyC4r8er
Name rel-(3aS,7aR,E)-2-(Iodomethylene)-3a-methylhexahydro-1H-inden-4(2H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.016760102 u
Formula C11H15IO
InChI InChI=1S/C11H15IO/c1-11-6-8(7-12)5-9(11)3-2-4-10(11)13/h7,9H,2-6H2,1H3/b8-7+/t9-,11+/m1/s1
InChIKey DOFKFMNUSMNEJZ-KLCSSHHSSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo302751p
Molecular Weight 290.144 g/mol
Quality 234
Reported Formula C11H15OI
SMILES C1C([C@@]2([C@](CC1)(C\C(C2)=C/I)[H])C)=O
SPLASH splash10-0006-0190000000-b5848c0b553171cb20bc
Source of Spectrum JOC-78-2783-6j (DOI: 10.1021/jo302751p)
Thin-Layer Chromatography 0.28 (pentanes/Et2O, 9:1)
Wiley ID 1912402