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SODIUM-8-CARBOXYLATOMETHYL-2-(3'-METHOXYPHENYL)-6-METHYL-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID IipLYbkU3s3
InChI InChI=1S/C19H16O5.Na/c1-11-6-13(9-18(21)22)19-15(7-11)16(20)10-17(24-19)12-4-3-5-14(8-12)23-2;/h3-8,10H,9H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKey AYTYGSIZRBUGTH-UHFFFAOYSA-M
Mol Weight 346.31 g/mol
Molecular Formula C19H15NaO5
Exact Mass 346.081718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBJubou0HBG
Name SODIUM-8-CARBOXYLATOMETHYL-2-(3'-METHOXYPHENYL)-6-METHYL-4H-1-BENZOPYRAN-4-ONE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H15NaO5
InChI InChI=1S/C19H16O5.Na/c1-11-6-13(9-18(21)22)19-15(7-11)16(20)10-17(24-19)12-4-3-5-14(8-12)23-2;/h3-8,10H,9H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKey AYTYGSIZRBUGTH-UHFFFAOYSA-M
Literature Reference Author R.A.AITKEN,M.C.BIBBY,J.A.DOUBLE,R.M.PHILLIPS,S.K.SHARMA
Literature Reference Citation ARCH.PHARM.,329,489(1996)
Literature Reference DOI 10.1002/ardp.19963291104
Molecular Weight 346.315 g/mol
Solvent DMSO-D6
Source File Reference UWRU10638