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IRCXHBWVUVIUMG-UHFFFAOYSA-O

View entire compound with spectra: 3 NMR

IRCXHBWVUVIUMG-UHFFFAOYSA-O
SpectraBase Compound ID BPDe7GQEQFE
InChI InChI=1S/C16H20NP.C9H8Br.BF4.Pd/c1-17(2)13-14-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-2-3-8-4-6-9(10)7-5-8;2-1(3,4)5;/h3-12H,13-14H2,1-2H3;2-7H,1H2;;/q;;-1;+1/p+1
InChIKey IRCXHBWVUVIUMG-UHFFFAOYSA-O
Mol Weight 647.6 g/mol
Molecular Formula C25H29BBrF4NPPd
Exact Mass 646.028498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdLlyt3I98U
Name IRCXHBWVUVIUMG-UHFFFAOYSA-O
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28BBrF4NPPd
InChI InChI=1S/C16H20NP.C9H8Br.BF4.Pd/c1-17(2)13-14-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-2-3-8-4-6-9(10)7-5-8;2-1(3,4)5;/h3-12H,13-14H2,1-2H3;2-7H,1H2;;/q;;-1;+1/p+1
InChIKey IRCXHBWVUVIUMG-UHFFFAOYSA-O
Literature Reference Author R.MALET,M.MORENO-MANAS,F.PAJUELO,T.PARELLA,R.PLEIXATS
Literature Reference Citation MAGN.RES.CHEM.,35,227(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199704)35:4<227::aid-omr69>3.0.co;2-6
Molecular Weight 646.605 g/mol
Solvent CDCl3
Source File Reference UWSI9390