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N-4-iodophenyl(2-adamantyl) carbamate
SpectraBase Compound ID HUD3MpDhDwO
InChI InChI=1S/C17H20INO2/c18-14-1-3-15(4-2-14)19-17(20)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H,19,20)/t10-,11+,12-,13+,16?
InChIKey CHWQHEYUKOHIHO-KZAAHDRASA-N
Mol Weight 397.26 g/mol
Molecular Formula C17H20INO2
Exact Mass 397.053874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DRCQOjYy14
Name N-4-iodophenyl(2-adamantyl) carbamate
Appearance White crystals
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Formula C17H20INO2
InChI InChI=1S/C17H20INO2/c18-14-1-3-15(4-2-14)19-17(20)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H,19,20)/t10-,11+,12-,13+,16?
InChIKey CHWQHEYUKOHIHO-KZAAHDRASA-N
Instrument Name Agilent 6890N
Ionization Type EI
Molecular Weight 397.256 g/mol
Reported Formula C17H20INO2
SMILES N(C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O)c1ccc(cc1)I
SPLASH splash10-000b-5985000000-852c9ae9a95d1e3c88e4
Source of Spectrum WO2014039526A2
Wiley ID 1849990