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3-(Cyclohexylamino)-4-(dibenzylamino)-1H-2-benzopyran-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(Cyclohexylamino)-4-(dibenzylamino)-1H-2-benzopyran-1-one
SpectraBase Compound ID F6zBTJrltUy
InChI InChI=1S/C29H30N2O2/c32-29-26-19-11-10-18-25(26)27(28(33-29)30-24-16-8-3-9-17-24)31(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h1-2,4-7,10-15,18-19,24,30H,3,8-9,16-17,20-21H2
InChIKey JGOJOMVEBXFRAH-UHFFFAOYSA-N
Mol Weight 438.57 g/mol
Molecular Formula C29H30N2O2
Exact Mass 438.230728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uNBLVKEuun
Name 3-(Cyclohexylamino)-4-(dibenzylamino)-1H-2-benzopyran-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.230728212 u
Formula C29H30N2O2
InChI InChI=1S/C29H30N2O2/c32-29-26-19-11-10-18-25(26)27(28(33-29)30-24-16-8-3-9-17-24)31(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h1-2,4-7,10-15,18-19,24,30H,3,8-9,16-17,20-21H2
InChIKey JGOJOMVEBXFRAH-UHFFFAOYSA-N
Molecular Weight 438.571 g/mol
SMILES C1(NC=2OC(C=3C(C2N(CC2=CC=CC=C2)CC2=CC=CC=C2)=CC=CC3)=O)CCCCC1