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1-[(1S,2S)-1,2-dideuterio-2-iodo-ethyl]adamantane
SpectraBase Compound ID HwlocdbJZQ9
InChI InChI=1S/C12H19I/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2/i1D,2D/t1-,2+,9?,10?,11?,12?/m1/s1
InChIKey NIVVVTFIOJWQJR-SBJJBAICSA-N
Mol Weight 292.2 g/mol
Molecular Formula C12H17D2I
Exact Mass 292.065699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IftLMF5oHgo
Name 1-[(1S,2S)-1,2-dideuterio-2-iodo-ethyl]adamantane
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Formula C12H17D2I
InChI InChI=1S/C12H19I/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2/i1D,2D/t1-,2+,9?,10?,11?,12?/m1/s1
InChIKey NIVVVTFIOJWQJR-SBJJBAICSA-N
Ionization Type EI
Molecular Weight 292.201 g/mol
Reported Formula C12H17D2I
SMILES C1C2CC3(CC1CC(C2)C3)[C@@]([C@@](I)([D])[H])([D])[H]
SPLASH splash10-000i-2900000000-d6762b6a0b6375bb2676
Source of Spectrum JP4925816B2
Wiley ID 1845047