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3,3'-(Cyclohexylmethylidene)-4,4'-dihydroxy-bis[2H-1-benzopyran-2-one]
SpectraBase Compound ID AQyluygQgtq
InChI InChI=1S/C25H22O6/c26-22-15-10-4-6-12-17(15)30-24(28)20(22)19(14-8-2-1-3-9-14)21-23(27)16-11-5-7-13-18(16)31-25(21)29/h4-7,10-14,19,26-27H,1-3,8-9H2
InChIKey SUCGCZSELVNJNF-UHFFFAOYSA-N
Mol Weight 418.45 g/mol
Molecular Formula C25H22O6
Exact Mass 418.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9K1mLbBSFlD
Name 3,3'-(Cyclohexylmethylidene)-4,4'-dihydroxy-bis[2H-1-benzopyran-2-one]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.141638422 u
Formula C25H22O6
InChI InChI=1S/C25H22O6/c26-22-15-10-4-6-12-17(15)30-24(28)20(22)19(14-8-2-1-3-9-14)21-23(27)16-11-5-7-13-18(16)31-25(21)29/h4-7,10-14,19,26-27H,1-3,8-9H2
InChIKey SUCGCZSELVNJNF-UHFFFAOYSA-N
Molecular Weight 418.445 g/mol
SMILES C1(=C(C2=CC=CC=C2OC1=O)O)C(C1=C(C=2C=CC=CC2OC1=O)O)C1CCCCC1