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(2S,3S)-3-(N,N-Dibenzylamino)-1-iodobutan-2-yl acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,3S)-3-(N,N-Dibenzylamino)-1-iodobutan-2-yl acetate
SpectraBase Compound ID DQ3Zy1eBcf
InChI InChI=1S/C20H24INO2/c1-16(20(13-21)24-17(2)23)22(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,16,20H,13-15H2,1-2H3/t16-,20+/m0/s1
InChIKey LNANLPOOPBNQAX-OXJNMPFZSA-N
Mol Weight 437.32 g/mol
Molecular Formula C20H24INO2
Exact Mass 437.085174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGnYH3mfp1s
Name (2S,3S)-3-(N,N-Dibenzylamino)-1-iodobutan-2-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.085174015 u
Formula C20H24INO2
InChI InChI=1S/C20H24INO2/c1-16(20(13-21)24-17(2)23)22(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,16,20H,13-15H2,1-2H3/t16-,20+/m0/s1
InChIKey LNANLPOOPBNQAX-OXJNMPFZSA-N
Molecular Weight 437.321 g/mol
SMILES [C@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)([C@](OC(=O)C)(CI)[H])(C)[H]