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[3R,5R,5(1S)]-N-Benzyl-5-[1-(benzyloxy)pentyl]-3-[iodomethyl]isoxazolidine
SpectraBase Compound ID A0U37YY9MhS
InChI InChI=1S/C23H30INO2/c1-2-3-14-22(26-18-20-12-8-5-9-13-20)23-15-21(16-24)25(27-23)17-19-10-6-4-7-11-19/h4-13,21-23H,2-3,14-18H2,1H3/t21-,22+,23-/m1/s1
InChIKey CAQQIYGACPZCKT-XPWALMASSA-N
Mol Weight 479.4 g/mol
Molecular Formula C23H30INO2
Exact Mass 479.132124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIfhKRINtGr
Name [3R,5R,5(1S)]-N-Benzyl-5-[1-(benzyloxy)pentyl]-3-[iodomethyl]isoxazolidine
Alternate Name(s) (3R,5R)-2-benzyl-5-[1-(benzyloxy)pentyl]-3-(iodomethyl)isoxazolidine benzyl 1-[(3R,5R)-2-benzyl-3-(iodomethyl)isoxazolidinyl]pentyl ether
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Formula C23H30INO2
InChI InChI=1S/C23H30INO2/c1-2-3-14-22(26-18-20-12-8-5-9-13-20)23-15-21(16-24)25(27-23)17-19-10-6-4-7-11-19/h4-13,21-23H,2-3,14-18H2,1H3/t21-,22+,23-/m1/s1
InChIKey CAQQIYGACPZCKT-XPWALMASSA-N
Molecular Weight 479.402 g/mol
SMILES [C@@]1(ON([C@](C1)(CI)[H])Cc1ccccc1)([C@@](OCc1ccccc1)(CCCC)[H])[H]
SPLASH splash10-01q0-0597000000-928bc96b843d7c87491f
Source of Spectrum F-47-9340-14
Wiley ID 1394969