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2-AMINO-3-CYANO-7,7-DIMETHYL-4-(3'-NITROPHENYL)-5,6,7,8-TETRAHYDRO-4H-CHROMENE
SpectraBase Compound ID 7r6tM7GAGHS
InChI InChI=1S/C18H18N4O3/c1-18(2)7-13-16(14(23)8-18)15(12(9-19)17(20)21-13)10-4-3-5-11(6-10)22(24)25/h3-6,15,21H,7-8,20H2,1-2H3
InChIKey XCAUVUCCFZWSEB-UHFFFAOYSA-N
Mol Weight 338.37 g/mol
Molecular Formula C18H18N4O3
Exact Mass 338.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yUw0qhZYyb
Name 2-AMINO-3-CYANO-7,7-DIMETHYL-4-(3'-NITROPHENYL)-5,6,7,8-TETRAHYDRO-4H-CHROMENE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N4O3
InChI InChI=1S/C18H18N4O3/c1-18(2)7-13-16(14(23)8-18)15(12(9-19)17(20)21-13)10-4-3-5-11(6-10)22(24)25/h3-6,15,21H,7-8,20H2,1-2H3
InChIKey XCAUVUCCFZWSEB-UHFFFAOYSA-N
Literature Reference Author M.SUAREZ,D.MOLERO,E.SALFRAN,N.MARTIN,Y.VERDECIA,R.MARTINEZ,E .OCHOA,L.ALBA,M.QUIN
Literature Reference Citation MAGN.RES.CHEM.,39,105(2001)
Literature Reference DOI 10.1002/1097-458x(200102)39:2<105::aid-mrc809>3.3.co;2-v
Molecular Weight 338.366 g/mol
Solvent DMSO-D6
Source File Reference UWSI24848