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1-{(S(a)-2'-[2-(N,N-diisopropylcarbamoyloxy)-1,1'-binaphthyl]oxy}-6-iodohexane
SpectraBase Compound ID DytBOxJtqcl
InChI InChI=1S/C33H38INO3/c1-23(2)35(24(3)4)33(36)38-30-20-18-26-14-8-10-16-28(26)32(30)31-27-15-9-7-13-25(27)17-19-29(31)37-22-12-6-5-11-21-34/h7-10,13-20,23-24H,5-6,11-12,21-22H2,1-4H3
InChIKey MOCZGPAEBUURFZ-UHFFFAOYSA-N
Mol Weight 623.6 g/mol
Molecular Formula C33H38INO3
Exact Mass 623.189639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rvdhzKeFzO
Name 1-{(S(A)-2'-[2-(N,N-Diisopropylcarbamoyloxy)-1,1'-binaphthyl]oxy}-6-iodohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 623.189639085 u
Formula C33H38INO3
InChI InChI=1S/C33H38INO3/c1-23(2)35(24(3)4)33(36)38-30-20-18-26-14-8-10-16-28(26)32(30)31-27-15-9-7-13-25(27)17-19-29(31)37-22-12-6-5-11-21-34/h7-10,13-20,23-24H,5-6,11-12,21-22H2,1-4H3
InChIKey MOCZGPAEBUURFZ-UHFFFAOYSA-N
Molecular Weight 623.575 g/mol
SMILES C(OC1=C(C2=C3C(C=CC=C3)=CC=C2OCCCCCCI)C2=CC=CC=C2C=C1)(N(C(C)C)C(C)C)=O