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3,5-Dimethyl-1-iodoadamantane
SpectraBase Compound ID CwDQnRSzocW
InChI InChI=1S/C12H19I/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3/t9-,10+,11-,12-
InChIKey SWFSZHNYDNGXMD-CDECOKDKSA-N
Mol Weight 290.19 g/mol
Molecular Formula C12H19I
Exact Mass 290.053146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4GZuCMOg76
Name 3,5-Dimethyl-1-iodoadamantane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19I
InChI InChI=1S/C12H19I/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3/t9-,10+,11-,12-
InChIKey SWFSZHNYDNGXMD-CDECOKDKSA-N
Literature Reference DOI 10.1021/ol1002847
Molecular Weight 290.188 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)C)[H])I)C
SPLASH splash10-08fr-4900000000-03a564d5ae0b9c77a22c
Source of Spectrum A1-12-1548/SMS4-1b
Synonyms (1r,3R,5S,7r)-1-iodo-3,5-dimethyladamantane
Wiley ID 1752045