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BIS-[4-(8-SODIOOXYCARBONYLMETHYL-4H-4-OXO-CHROMEN-2-YL)-PHENYL]-ETHER
SpectraBase Compound ID BoeCmj8cWZV
InChI InChI=1S/C34H22O9.2Na/c35-27-17-29(42-33-21(15-31(37)38)3-1-5-25(27)33)19-7-11-23(12-8-19)41-24-13-9-20(10-14-24)30-18-28(36)26-6-2-4-22(16-32(39)40)34(26)43-30;;/h1-14,17-18H,15-16H2,(H,37,38)(H,39,40);;/q;2*+1/p-2
InChIKey CLKWCAHWMKCPGZ-UHFFFAOYSA-L
Mol Weight 618.5 g/mol
Molecular Formula C34H20Na2O9
Exact Mass 618.090271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8vrHFGaC5OK
Name BIS-[4-(8-SODIOOXYCARBONYLMETHYL-4H-4-OXO-CHROMEN-2-YL)-PHENYL]-ETHER
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H20Na2O9
InChI InChI=1S/C34H22O9.2Na/c35-27-17-29(42-33-21(15-31(37)38)3-1-5-25(27)33)19-7-11-23(12-8-19)41-24-13-9-20(10-14-24)30-18-28(36)26-6-2-4-22(16-32(39)40)34(26)43-30;;/h1-14,17-18H,15-16H2,(H,37,38)(H,39,40);;/q;2*+1/p-2
InChIKey CLKWCAHWMKCPGZ-UHFFFAOYSA-L
Literature Reference Author R.A.AITKEN,M.C.BIBBY,P.A.COOPER,J.A.DOUBLE,A.L.LAWS,R.B.RITC HIE,D.W.J.WILSON
Literature Reference Citation ARCH.PHARM.,333,181(2000)
Literature Reference DOI 10.1002/1521-4184(20006)333:6<181::aid-ardp181>3.3.co;2-f
Molecular Weight 618.507 g/mol
Solvent Unknown
Source File Reference UWRU10770