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2-Azetidinone, 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenoxy)-
SpectraBase Compound ID 4EflvWUaYej
InChI InChI=1S/C24H18ClNO6/c25-16-3-5-17(6-4-16)32-23-22(15-2-8-19-21(10-15)31-13-29-19)26(24(23)27)11-14-1-7-18-20(9-14)30-12-28-18/h1-10,22-23H,11-13H2
InChIKey BPXZXWGRWYMIOV-UHFFFAOYSA-N
Mol Weight 451.86 g/mol
Molecular Formula C24H18ClNO6
Exact Mass 451.082265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cRKLSH3PeR
Name 2-Azetidinone, 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenoxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.082264998 u
Formula C24H18ClNO6
InChI InChI=1S/C24H18ClNO6/c25-16-3-5-17(6-4-16)32-23-22(15-2-8-19-21(10-15)31-13-29-19)26(24(23)27)11-14-1-7-18-20(9-14)30-12-28-18/h1-10,22-23H,11-13H2
InChIKey BPXZXWGRWYMIOV-UHFFFAOYSA-N
Molecular Weight 451.862 g/mol
SMILES C1OC2=CC=C(C=C2O1)CN1C(C(C1C1=CC=C2C(=C1)OCO2)OC1=CC=C(Cl)C=C1)=O