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2-[(2,2-DIMETHYL-2H-CHROMEN-5-YL)-AMINO]-3-NITROBENZOIC-ACID
SpectraBase Compound ID 3L1OkWhmw4K
InChI InChI=1S/C18H16N2O5/c1-18(2)10-9-11-13(6-4-8-15(11)25-18)19-16-12(17(21)22)5-3-7-14(16)20(23)24/h3-10,19H,1-2H3,(H,21,22)
InChIKey PYJNTSLFNNFKAE-UHFFFAOYSA-N
Mol Weight 340.34 g/mol
Molecular Formula C18H16N2O5
Exact Mass 340.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMXMuNTCMu9
Name 2-[(2,2-DIMETHYL-2H-CHROMEN-5-YL)-AMINO]-3-NITROBENZOIC-ACID
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16N2O5
InChI InChI=1S/C18H16N2O5/c1-18(2)10-9-11-13(6-4-8-15(11)25-18)19-16-12(17(21)22)5-3-7-14(16)20(23)24/h3-10,19H,1-2H3,(H,21,22)
InChIKey PYJNTSLFNNFKAE-UHFFFAOYSA-N
Literature Reference Author A.ELOMRI,S.MICHEL,M.KOCH,E.SEGUIN,F.TILLEQUIN,A.PIERRE,G.ATA SSI
Literature Reference Citation CHEM.PHARM.BULL.,47,1604(1999)
Literature Reference DOI 10.1248/cpb.47.1604
Molecular Weight 340.335 g/mol
Solvent CDCl3
Source File Reference UWLU8402