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4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(4-methylphenyl)-5-oxo-
SpectraBase Compound ID GdoeimEVeIi
InChI InChI=1S/C24H22N2O3/c1-14-3-5-15(6-4-14)17-11-20(27)23-21(12-17)29-24(26)19(13-25)22(23)16-7-9-18(28-2)10-8-16/h3-10,17,22H,11-12,26H2,1-2H3
InChIKey KVPKORLSMFVLNI-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C24H22N2O3
Exact Mass 386.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWY4Qz4VTHN
Name 4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(4-methylphenyl)-5-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.163042573 u
Formula C24H22N2O3
InChI InChI=1S/C24H22N2O3/c1-14-3-5-15(6-4-14)17-11-20(27)23-21(12-17)29-24(26)19(13-25)22(23)16-7-9-18(28-2)10-8-16/h3-10,17,22H,11-12,26H2,1-2H3
InChIKey KVPKORLSMFVLNI-UHFFFAOYSA-N
Molecular Weight 386.451 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)C=2C=CC(=CC2)C)O1)C1=CC=C(C=C1)OC)C#N