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(2S,3S)-3-(N,N-Dibenzylamino)-1-iodo-5-methylhexan-2-yl acetate
SpectraBase Compound ID JAufNCzLQW9
InChI InChI=1S/C23H30INO2/c1-18(2)14-22(23(15-24)27-19(3)26)25(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,18,22-23H,14-17H2,1-3H3/t22-,23+/m0/s1
InChIKey DXQMHBAIXNTVFK-XZOQPEGZSA-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 Dt5tUwXZJOO
Name (2S,3S)-3-(N,N-Dibenzylamino)-1-iodo-5-methylhexan-2-yl acetate
Alternate Name(s) Acetic acid[(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-4-methyl-pentyl]ester Acetic acid[(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodo-5-methylhexan-2-yl]ester [(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-4-methyl-pentyl]acetate [(2S,3S)-3-(dibenzylamino)-1-iodo-5-methylhexan-2-yl]acetate [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodanyl-5-methyl-hexan-2-yl]ethanoate Acetic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodo-5-methylhexan-2-yl] ester [(2S,3S)-3-(dibenzylamino)-1-iodo-5-methylhexan-2-yl] acetate [(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-4-methyl-pentyl] acetate [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodanyl-5-methyl-hexan-2-yl] ethanoate
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Formula C23H30INO2
InChI InChI=1S/C23H30INO2/c1-18(2)14-22(23(15-24)27-19(3)26)25(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,18,22-23H,14-17H2,1-3H3/t22-,23+/m0/s1
InChIKey DXQMHBAIXNTVFK-XZOQPEGZSA-N
Molecular Weight 479.402 g/mol
SMILES [C@](N(Cc1ccccc1)Cc1ccccc1)([C@](OC(=O)C)(CI)[H])(CC(C)C)[H]
SPLASH splash10-02tc-4090000000-b3361b47e5d88bcafb31
Source of Spectrum J-62-8905-3
Wiley ID 1394970