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3-(4-tert-Butyl-1-cyclohexenyl)-4-iodotoluene
SpectraBase Compound ID Gqcy6ZFg41r
InChI InChI=1S/C17H23I/c1-12-5-10-16(18)15(11-12)13-6-8-14(9-7-13)17(2,3)4/h5-6,10-11,14H,7-9H2,1-4H3
InChIKey BKPIMFSHRRXMHQ-UHFFFAOYSA-N
Mol Weight 354.28 g/mol
Molecular Formula C17H23I
Exact Mass 354.084446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDChHzLXVWU
Name 3-(4-tert-Butyl-1-cyclohexenyl)-4-iodotoluene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23I
InChI InChI=1S/C17H23I/c1-12-5-10-16(18)15(11-12)13-6-8-14(9-7-13)17(2,3)4/h5-6,10-11,14H,7-9H2,1-4H3
InChIKey BKPIMFSHRRXMHQ-UHFFFAOYSA-N
Molecular Weight 354.275 g/mol
SMILES c1(C2=CCC(C(C)(C)C)CC2)c(ccc(c1)C)I
SPLASH splash10-0pkc-2923000000-5923dad7316344569c08
Source of Spectrum C-117-3366-5
Synonyms 2-(4-tert-butyl-1-cyclohexen-1-yl)-1-iodo-4-methylbenzene
Wiley ID 758687