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2,4-exo-di-tert-butyl-6-exo-iodoprotoadamantane
SpectraBase Compound ID 6MP4oaYXQ48
InChI InChI=1S/C18H31I/c1-16(2,3)13-10-18(19)8-11-7-12(9-18)15(14(11)13)17(4,5)6/h11-15H,7-10H2,1-6H3
InChIKey HRERDWDEJNQXQT-UHFFFAOYSA-N
Mol Weight 374.35 g/mol
Molecular Formula C18H31I
Exact Mass 374.147046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdwUfk1MOBN
Name 2,4-exo-di-tert-butyl-6-exo-iodoprotoadamantane
Alternate Name(s) 2,4-Ditert-butyl-6-iodotricyclo[4.3.1.0(3,8)]decane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31I
InChI InChI=1S/C18H31I/c1-16(2,3)13-10-18(19)8-11-7-12(9-18)15(14(11)13)17(4,5)6/h11-15H,7-10H2,1-6H3
InChIKey HRERDWDEJNQXQT-UHFFFAOYSA-N
Molecular Weight 374.350 g/mol
SMILES C12C(CC3(CC2CC(C1C(C)(C)C)C3)I)C(C)(C)C
SPLASH splash10-0a6v-8940000000-461b700dae09680a9f6b
Source of Spectrum J-56-1712-42
Wiley ID 1356476