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6-Triphenylmethyl-4-ethoxycarbonyl-2H-1-benzopyran-2-one

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

6-Triphenylmethyl-4-ethoxycarbonyl-2H-1-benzopyran-2-one
SpectraBase Compound ID KdtNF4Pl64Y
InChI InChI=1S/C31H24O4/c1-2-34-30(33)27-21-29(32)35-28-19-18-25(20-26(27)28)31(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21H,2H2,1H3
InChIKey MDFJJBMWENSARS-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C31H24O4
Exact Mass 460.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXUFhRkQDoY
Name 6-Triphenylmethyl-4-ethoxycarbonyl-2H-1-benzopyran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.167459249 u
Formula C31H24O4
InChI InChI=1S/C31H24O4/c1-2-34-30(33)27-21-29(32)35-28-19-18-25(20-26(27)28)31(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21H,2H2,1H3
InChIKey MDFJJBMWENSARS-UHFFFAOYSA-N
Molecular Weight 460.529 g/mol
SMILES C=1(C=2C(=CC=C(C2)C(C=2C=CC=CC2)(C=2C=CC=CC2)C=2C=CC=CC2)OC(C1)=O)C(=O)OCC