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(2S,3S)-3-(N,N-Dibenzylamino)-1-iodo-4-phenylbutan-2-yl acetate
SpectraBase Compound ID 1Egd8V1hrRy
InChI InChI=1S/C26H28INO2/c1-21(29)30-26(18-27)25(17-22-11-5-2-6-12-22)28(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,25-26H,17-20H2,1H3/t25-,26+/m0/s1
InChIKey KWZSCODKPVSKCE-IZZNHLLZSA-N
Mol Weight 513.42 g/mol
Molecular Formula C26H28INO2
Exact Mass 513.116474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4p0G0E5YLms
Name (2S,3S)-3-(N,N-Dibenzylamino)-1-iodo-4-phenylbutan-2-yl acetate
Alternate Name(s) Acetic acid[(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-3-phenyl-propyl]ester Acetic acid[(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodo-4-phenylbutan-2-yl]ester [(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-3-phenyl-propyl]acetate [(2S,3S)-3-(dibenzylamino)-1-iodo-4-phenylbutan-2-yl]acetate [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodanyl-4-phenyl-butan-2-yl]ethanoate Acetic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodo-4-phenylbutan-2-yl] ester [(2S,3S)-3-(dibenzylamino)-1-iodo-4-phenylbutan-2-yl] acetate [(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-3-phenyl-propyl] acetate [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodanyl-4-phenyl-butan-2-yl] ethanoate
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Formula C26H28INO2
InChI InChI=1S/C26H28INO2/c1-21(29)30-26(18-27)25(17-22-11-5-2-6-12-22)28(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,25-26H,17-20H2,1H3/t25-,26+/m0/s1
InChIKey KWZSCODKPVSKCE-IZZNHLLZSA-N
Molecular Weight 513.419 g/mol
SMILES [C@](N(Cc1ccccc1)Cc1ccccc1)([C@](OC(=O)C)(CI)[H])(Cc1ccccc1)[H]
SPLASH splash10-0f6x-9005200000-121b9aa5b2c0b91c4835
Source of Spectrum J-62-8905-3
Wiley ID 1400965