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2-AMINO-3-CYANO-5,6,7,8-TETRAHYDRO-7,7-DIMETHYL-4-(4'-NITROPHENYL)-5-OXO-4H-BENZOPYRAN
SpectraBase Compound ID 4Jmty02WLrY
InChI InChI=1S/C18H17N3O4/c1-18(2)7-13(22)16-14(8-18)25-17(20)12(9-19)15(16)10-3-5-11(6-4-10)21(23)24/h3-6,15H,7-8,20H2,1-2H3
InChIKey NAXHNBPBWXDTRM-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTEZgFuqjlL
Name 2-AMINO-3-CYANO-5,6,7,8-TETRAHYDRO-7,7-DIMETHYL-4-(4'-NITROPHENYL)-5-OXO-4H-BENZOPYRAN
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-18(2)7-13(22)16-14(8-18)25-17(20)12(9-19)15(16)10-3-5-11(6-4-10)21(23)24/h3-6,15H,7-8,20H2,1-2H3
InChIKey NAXHNBPBWXDTRM-UHFFFAOYSA-N
Literature Reference Author E.SALFRAN,M.SUAREZ,Y.VERDECIA,A.ALVAREZ,E.OCHOA,R.M.ALVAREZ, C.SEOANEB,N.MARTIN
Literature Reference Citation J.HETCYCL.CHEM.,41,509(2004)
Literature Reference DOI 10.1002/jhet.5570410406
Molecular Weight 339.351 g/mol
Solvent DMSO-D6
Source File Reference UWLU22407