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1-(4-Ethoxy-3-methoxy-phenyl)-8-(3-methoxy-4-phenylmethoxy-phenyl)-8-oxidanyl-octan-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(4-Ethoxy-3-methoxy-phenyl)-8-(3-methoxy-4-phenylmethoxy-phenyl)-8-oxidanyl-octan-1-one
SpectraBase Compound ID IG05R3p1eDg
InChI InChI=1S/C31H38O6/c1-4-36-28-18-16-24(20-30(28)34-2)26(32)14-10-5-6-11-15-27(33)25-17-19-29(31(21-25)35-3)37-22-23-12-8-7-9-13-23/h7-9,12-13,16-21,27,33H,4-6,10-11,14-15,22H2,1-3H3
InChIKey XZMJLBSMRUUDFX-UHFFFAOYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C31H38O6
Exact Mass 506.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Xf6oeKEmnZ
Name 1-(4-Ethoxy-3-methoxy-phenyl)-8-(3-methoxy-4-phenylmethoxy-phenyl)-8-oxidanyl-octan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.266838938 u
Formula C31H38O6
InChI InChI=1S/C31H38O6/c1-4-36-28-18-16-24(20-30(28)34-2)26(32)14-10-5-6-11-15-27(33)25-17-19-29(31(21-25)35-3)37-22-23-12-8-7-9-13-23/h7-9,12-13,16-21,27,33H,4-6,10-11,14-15,22H2,1-3H3
InChIKey XZMJLBSMRUUDFX-UHFFFAOYSA-N
Molecular Weight 506.639 g/mol
SMILES C=1(C=C(OC)C(=CC1)OCC)C(=O)CCCCCCC(C=1C=C(OC)C(=CC1)OCC=1C=CC=CC1)O