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1-[4-[12-(4-Acetylphenoxy)dodecoxy]phenyl]ethanone

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

1-[4-[12-(4-Acetylphenoxy)dodecoxy]phenyl]ethanone
SpectraBase Compound ID D1crNBAJBGb
InChI InChI=1S/C28H38O4/c1-23(29)25-13-17-27(18-14-25)31-21-11-9-7-5-3-4-6-8-10-12-22-32-28-19-15-26(16-20-28)24(2)30/h13-20H,3-12,21-22H2,1-2H3
InChIKey GZYYMJINJBEHPL-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6x3JYxQzEsn
Name 1-[4-[12-(4-Acetylphenoxy)dodecoxy]phenyl]ethanone
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-23(29)25-13-17-27(18-14-25)31-21-11-9-7-5-3-4-6-8-10-12-22-32-28-19-15-26(16-20-28)24(2)30/h13-20H,3-12,21-22H2,1-2H3
InChIKey GZYYMJINJBEHPL-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(C1=CC=C(C=C1)OCCCCCCCCCCCCOC1=CC=C(C(=O)C)C=C1)(=O)C