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Candidone

View entire compound with spectra: 1 NMR, and 1 FTIR

Candidone
SpectraBase Compound ID BLJMa8kRitA
InChI InChI=1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1
InChIKey JYESOAFLKFHYHP-SFHVURJKSA-N
Mol Weight 352.43 g/mol
Molecular Formula C22H24O4
Exact Mass 352.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3d5u0hHEp8l
Name Candidone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.167459249 u
Formula C22H24O4
InChI InChI=1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1
InChIKey JYESOAFLKFHYHP-SFHVURJKSA-N
Molecular Weight 352.430 g/mol
SMILES COC1=C2C(=O)C[C@@](C3=CC=CC=C3)(OC2=C(C(OC)=C1)CC=C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918365