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2-(2-BENZYL-4H-4-OXO-CHROMEN-8-YL)-ACETIC-ACID-SODIUM-SALT
SpectraBase Compound ID LWmWNH9u1Mx
InChI InChI=1S/C18H14O4.Na/c19-16-11-14(9-12-5-2-1-3-6-12)22-18-13(10-17(20)21)7-4-8-15(16)18;/h1-8,11H,9-10H2,(H,20,21);/q;+1/p-1
InChIKey PZOCGIWQXJYOLL-UHFFFAOYSA-M
Mol Weight 316.29 g/mol
Molecular Formula C18H13NaO4
Exact Mass 316.071153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7ZDFSNncwr
Name 2-(2-BENZYL-4H-4-OXO-CHROMEN-8-YL)-ACETIC-ACID-SODIUM-SALT
Compound Number 29A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13NaO4
InChI InChI=1S/C18H14O4.Na/c19-16-11-14(9-12-5-2-1-3-6-12)22-18-13(10-17(20)21)7-4-8-15(16)18;/h1-8,11H,9-10H2,(H,20,21);/q;+1/p-1
InChIKey PZOCGIWQXJYOLL-UHFFFAOYSA-M
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 316.289 g/mol
Solvent Unknown