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4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl benzoate

View entire compound with spectra: 2 NMR

4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl benzoate
SpectraBase Compound ID 80uFpfeTin8
InChI InChI=1S/C23H18N2O4/c24-13-17-20(21-18(26)7-4-8-19(21)29-22(17)25)14-9-11-16(12-10-14)28-23(27)15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,25H2
InChIKey OYUBNXMWRQLCNI-UHFFFAOYSA-N
Mol Weight 386.41 g/mol
Molecular Formula C23H18N2O4
Exact Mass 386.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91ous1bOoL5
Name 4-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.126657064 u
Formula C23H18N2O4
InChI InChI=1S/C23H18N2O4/c24-13-17-20(21-18(26)7-4-8-19(21)29-22(17)25)14-9-11-16(12-10-14)28-23(27)15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,25H2
InChIKey OYUBNXMWRQLCNI-UHFFFAOYSA-N
Molecular Weight 386.407 g/mol
SMILES NC1=C(C(C2=C(CCCC2=O)O1)C=1C=CC(OC(=O)C=2C=CC=CC2)=CC1)C#N