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4'-Methyl-p-[2]cubyl Iodide
SpectraBase Compound ID LMEoKlIinV8
InChI InChI=1S/C17H15I/c1-14-2-5-3(14)7-4(14)6(2)15(5,7)16-8-11-9(16)13-10(16)12(8)17(11,13)18/h2-13H,1H3/t2-,3+,4-,5-,6+,7-,8-,9+,10-,11-,12+,13-,14+,15-,16-,17-
InChIKey KHJQALBVYKKJCR-VAULDLTQSA-N
Mol Weight 346.21 g/mol
Molecular Formula C17H15I
Exact Mass 346.021845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3AfwEaDE6H
Name 4'-Methyl-p-[2]cubyl Iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15I
InChI InChI=1S/C17H15I/c1-14-2-5-3(14)7-4(14)6(2)15(5,7)16-8-11-9(16)13-10(16)12(8)17(11,13)18/h2-13H,1H3/t2-,3+,4-,5-,6+,7-,8-,9+,10-,11-,12+,13-,14+,15-,16-,17-
InChIKey KHJQALBVYKKJCR-VAULDLTQSA-N
Molecular Weight 346.211 g/mol
SMILES C12(C34C5C6C7(C5C4C7C36)C)C3C4C5(C3C2C5C14)I
SPLASH splash10-0udi-3690000000-2ee01b5c3135fb078b45
Source of Spectrum C-121-4121-21
Synonyms 1-iodo-4-(4-methyl-1-cubanyl)cubane 1-iodanyl-4-(4-methylcuban-1-yl)cubane
Wiley ID 1702449