exo,exo-6-Iodomethyl-3-[4-(trans-4-pentylcyclohexyl)phenyl]bicyclo[3.1.0]hexane

SpectraBase Compound ID	I0B92WFug6q
InChI	InChI=1S/C24H35I/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-22-23(15-21)24(22)16-25/h10-13,17-18,21-24H,2-9,14-16H2,1H3/t17?,18?,21-,22-,23+,24?
InChIKey	XHUFAGKRHDKWFV-MSRCWYATSA-N Google Search
Mol Weight	450.4 g/mol
Molecular Formula	C24H35I
Exact Mass	450.178346 g/mol

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SpectraBase Spectrum ID	5ghExpjWMXC
Name	exo,exo-6-Iodomethyl-3-[4-(trans-4-pentylcyclohexyl)phenyl]bicyclo[3.1.0]hexane
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H35I
InChI	InChI=1S/C24H35I/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-22-23(15-21)24(22)16-25/h10-13,17-18,21-24H,2-9,14-16H2,1H3/t17?,18?,21-,22-,23+,24?
InChIKey	XHUFAGKRHDKWFV-MSRCWYATSA-N
Molecular Weight	450.448 g/mol
SMILES	[C@@]12([C@@](C[C@](C2)(c2ccc(cc2)C2CCC(CC2)CCCCC)[H])(C1CI)[H])[H]
SPLASH	splash10-00di-0009000000-f2753ea1cff8a114bdb6
Source of Spectrum	U1-2004-299-20
Synonyms	(1R,5S)-6-(iodomethyl)-3-[4-(4-pentylcyclohexyl)phenyl]bicyclo[3.1.0]hexane
Wiley ID	1560146