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Cyclopentanone, 2,5-bis[(4-hydroxy-3-methoxyphenyl)methylene]-
SpectraBase Compound ID FHfyXlfDJlb
InChI InChI=1S/C21H20O5/c1-25-19-11-13(3-7-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-18(23)20(12-14)26-2/h3-4,7-12,22-23H,5-6H2,1-2H3/b15-9-,16-10+
InChIKey NZSRSKNDCCSSGY-CKOAPEAFSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HisX921Bm3z
Name Cyclopentanone, 2,5-bis[(4-hydroxy-3-methoxyphenyl)methylene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.131073739 u
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-25-19-11-13(3-7-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-18(23)20(12-14)26-2/h3-4,7-12,22-23H,5-6H2,1-2H3/b15-9-,16-10+
InChIKey NZSRSKNDCCSSGY-CKOAPEAFSA-N
Molecular Weight 352.386 g/mol
SMILES COC1=CC(\C=C\2CC\C(C2=O)=C/C2=CC=C(C(=C2)OC)O)=CC=C1O