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(2S)-2-[(R)-1-(Benzyloxy)-1-(dimethoxymethyl)ethyl]]-N-[(E)-2-ioo-4-methyl-2-penten-1-yl]piperidine
SpectraBase Compound ID 9JqZb0WnePj
InChI InChI=1S/C23H36INO3/c1-18(2)15-20(24)16-25-14-10-9-13-21(25)23(3,22(26-4)27-5)28-17-19-11-7-6-8-12-19/h6-8,11-12,15,18,21-22H,9-10,13-14,16-17H2,1-5H3/b20-15+/t21-,23+/m0/s1
InChIKey JSZFSWLSBKSSKH-OYGQUUSZSA-N
Mol Weight 501.4 g/mol
Molecular Formula C23H36INO3
Exact Mass 501.173989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GC2UgQi0LSm
Name (2S)-2-[(R)-1-(Benzyloxy)-1-(dimethoxymethyl)ethyl]]-N-[(E)-2-ioo-4-methyl-2-penten-1-yl]piperidine
Alternate Name(s) (2S)-2-[(1R)-1-(benzyloxy)-2,2-dimethoxy-1-methylethyl]-1-[(2E)-2-iodo-4-methyl-2-pentenyl]piperidine
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Formula C23H36INO3
InChI InChI=1S/C23H36INO3/c1-18(2)15-20(24)16-25-14-10-9-13-21(25)23(3,22(26-4)27-5)28-17-19-11-7-6-8-12-19/h6-8,11-12,15,18,21-22H,9-10,13-14,16-17H2,1-5H3/b20-15+/t21-,23+/m0/s1
InChIKey JSZFSWLSBKSSKH-OYGQUUSZSA-N
Molecular Weight 501.449 g/mol
SMILES [C@@]([C@]1(N(C\C(=C/C(C)C)I)CCCC1)[H])(OCc1ccccc1)(C(OC)OC)C
SPLASH splash10-0006-0490000000-7d8a2a047dd046303969
Source of Spectrum C-115-11402-31
Wiley ID 1399035