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4-Methoxy-N-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]benzamide
SpectraBase Compound ID 87wkLcLhvsI
InChI InChI=1S/C27H26N2O7/c1-31-19-10-6-16(7-11-19)24-23(18-14-21(33-3)25(35-5)22(15-18)34-4)26(29-36-24)28-27(30)17-8-12-20(32-2)13-9-17/h6-15H,1-5H3,(H,28,29,30)
InChIKey LWBITDDQEGDKAF-UHFFFAOYSA-N
Mol Weight 490.51 g/mol
Molecular Formula C27H26N2O7
Exact Mass 490.174001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9iZJbDvHW5H
Name 4-Methoxy-N-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.174001178 u
Formula C27H26N2O7
InChI InChI=1S/C27H26N2O7/c1-31-19-10-6-16(7-11-19)24-23(18-14-21(33-3)25(35-5)22(15-18)34-4)26(29-36-24)28-27(30)17-8-12-20(32-2)13-9-17/h6-15H,1-5H3,(H,28,29,30)
InChIKey LWBITDDQEGDKAF-UHFFFAOYSA-N
Molecular Weight 490.512 g/mol
SMILES C=1C=C(C=CC1OC)C=1ON=C(NC(C2=CC=C(C=C2)OC)=O)C1C1=CC(OC)=C(OC)C(OC)=C1