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(1S,2R)-2-iodanyl-N-(phenylmethyl)-N-prop-2-enyl-cyclohexan-1-amine
SpectraBase Compound ID 9o7kzM8AtVv
InChI InChI=1S/C16H22IN/c1-2-12-18(13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)17/h2-5,8-9,15-16H,1,6-7,10-13H2/t15-,16+/m1/s1
InChIKey QQEMRFLHXLPTIS-CVEARBPZSA-N
Mol Weight 355.26 g/mol
Molecular Formula C16H22IN
Exact Mass 355.079695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPbwcCLliaM
Name (1S,2R)-2-iodanyl-N-(phenylmethyl)-N-prop-2-enyl-cyclohexan-1-amine
Alternate Name(s) (1S,2R)-2-iodo-N-(phenylmethyl)-N-prop-2-enyl-1-cyclohexanamine (1S,2R)-N-allyl-N-benzyl-2-iodo-cyclohexanamine (1S,2R)-N-benzyl-2-iodo-N-prop-2-enylcyclohexan-1-amine Allyl-benzyl-[(1S,2R)-2-iodocyclohexyl]amine
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Formula C16H22IN
InChI InChI=1S/C16H22IN/c1-2-12-18(13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)17/h2-5,8-9,15-16H,1,6-7,10-13H2/t15-,16+/m1/s1
InChIKey QQEMRFLHXLPTIS-CVEARBPZSA-N
Molecular Weight 355.263 g/mol
SMILES [C@]1(N(Cc2ccccc2)CC=C)([C@](I)(CCCC1)[H])[H]
SPLASH splash10-0006-9300000000-02a178c2fea0a9c70595
Source of Spectrum J-61-5748-8
Wiley ID 1345148