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SCH-642305-PARA-BrOMOBENZOATE
SpectraBase Compound ID 4OUyPq4x8tX
InChI InChI=1S/C21H23BrO5/c1-13-4-2-3-5-16-17(12-20(24)26-13)19(11-10-18(16)23)27-21(25)14-6-8-15(22)9-7-14/h6-11,13,16-17,19H,2-5,12H2,1H3/t13-,16+,17+,19-/m0/s1
InChIKey GYAMSQCATFGLMX-YUFWVBKYSA-N
Mol Weight 435.31 g/mol
Molecular Formula C21H23BrO5
Exact Mass 434.072887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fg1rrvSmkwE
Name SCH-642305-PARA-BrOMOBENZOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23BrO5
InChI InChI=1S/C21H23BrO5/c1-13-4-2-3-5-16-17(12-20(24)26-13)19(11-10-18(16)23)27-21(25)14-6-8-15(22)9-7-14/h6-11,13,16-17,19H,2-5,12H2,1H3/t13-,16+,17+,19-/m0/s1
InChIKey GYAMSQCATFGLMX-YUFWVBKYSA-N
Literature Reference Author M.CHU,R.MIERZWA,L.XU,L.HE,J.TERRACCIANO,M.PATEL,V.GULLO,T.BL ACK,W.ZHAO,T.M.CHAN,
Literature Reference Citation J.NAT.PROD.,66,1527(2003)
Literature Reference DOI 10.1021/np0302302
Molecular Weight 435.315 g/mol
Solvent CDCl3
Source File Reference UWKP3132