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[(3R,4S,1'S)-2-[(R)-(+)-ISOPINOCAMPHEYL]-4-METHYL-1-(1-PHENYLETHYL)-1,2-AZABORETIDIN-1-IUM-2-UID-3-YL]-TRIPHENYLPHOSPHONIUM-BROMIDE

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[(3R,4S,1'S)-2-[(R)-(+)-ISOPINOCAMPHEYL]-4-METHYL-1-(1-PHENYLETHYL)-1,2-AZABORETIDIN-1-IUM-2-UID-3-YL]-TRIPHENYLPHOSPHONIUM-BROMIDE
SpectraBase Compound ID J1kr0TWbzzT
InChI InChI=1S/C39H48BNP.BrH/c1-28-36-26-32(39(36,4)5)27-37(28)40-38(30(3)41(40)29(2)31-18-10-6-11-19-31)42(33-20-12-7-13-21-33,34-22-14-8-15-23-34)35-24-16-9-17-25-35;/h6-25,28-30,32,36-38,40-41H,26-27H2,1-5H3;1H/q+1;/p-1/t28-,29+,30+,32+,36-,37-,38+,40?;/m1./s1
InChIKey AQGBFUAWWFNCOH-SRSPAZQJSA-M
Mol Weight 651.5 g/mol
Molecular Formula C39H47BBrNP
Exact Mass 650.272256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZhPbFd7xie
Name [(3R,4S,1'S)-2-[(R)-(+)-ISOPINOCAMPHEYL]-4-METHYL-1-(1-PHENYLETHYL)-1,2-AZABORETIDIN-1-IUM-2-UID-3-YL]-TRIPHENYLPHOSPHONIUM-BROMIDE
Compound Number 8CA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H47BBrNP
InChI InChI=1S/C39H48BNP.BrH/c1-28-36-26-32(39(36,4)5)27-37(28)40-38(30(3)41(40)29(2)31-18-10-6-11-19-31)42(33-20-12-7-13-21-33,34-22-14-8-15-23-34)35-24-16-9-17-25-35;/h6-25,28-30,32,36-38,40-41H,26-27H2,1-5H3;1H/q+1;/p-1/t28-,29+,30+,32+,36-,37-,38+,40?;/m1./s1
InChIKey AQGBFUAWWFNCOH-SRSPAZQJSA-M
Literature Reference Author B.L.BOOTH,N.J.LAWRENCE,H.S.RASHID
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3509(1997)
Literature Reference DOI 10.1039/a703936k
Molecular Weight 651.497 g/mol
Solvent CDCl3