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1,5-Dioxaspiro[5.5]undecane-2,4-dione, 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylene]-
SpectraBase Compound ID H99b20qzEJ7
InChI InChI=1S/C23H21ClO5/c24-19-10-4-2-9-17(19)15-27-20-11-5-3-8-16(20)14-18-21(25)28-23(29-22(18)26)12-6-1-7-13-23/h2-5,8-11,14H,1,6-7,12-13,15H2
InChIKey RQDIHNTUMNNYNM-UHFFFAOYSA-N
Mol Weight 412.87 g/mol
Molecular Formula C23H21ClO5
Exact Mass 412.107751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cu5jqh2X3zV
Name 1,5-Dioxaspiro[5.5]undecane-2,4-dione, 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.107751471 u
Formula C23H21ClO5
InChI InChI=1S/C23H21ClO5/c24-19-10-4-2-9-17(19)15-27-20-11-5-3-8-16(20)14-18-21(25)28-23(29-22(18)26)12-6-1-7-13-23/h2-5,8-11,14H,1,6-7,12-13,15H2
InChIKey RQDIHNTUMNNYNM-UHFFFAOYSA-N
Molecular Weight 412.869 g/mol
SMILES C1(C(OC2(OC1=O)CCCCC2)=O)=CC=1C(OCC=2C(Cl)=CC=CC2)=CC=CC1