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4,2-Cresotic acid, p-butylphenyl ester, p-anisate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

4,2-Cresotic acid, p-butylphenyl ester, p-anisate
SpectraBase Compound ID HLEDzZHDYl6
InChI InChI=1S/C26H26O5/c1-4-5-6-19-7-11-22(12-8-19)30-26(28)24-16-15-23(17-18(24)2)31-25(27)20-9-13-21(29-3)14-10-20/h7-17H,4-6H2,1-3H3
InChIKey QFHKXCJFXJUECF-UHFFFAOYSA-N
Mol Weight 418.49 g/mol
Molecular Formula C26H26O5
Exact Mass 418.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ni4qakcyWW
Name 4,2-Cresotic acid, p-butylphenyl ester, p-anisate
Comments Computed using HOSE algorithm
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Exact Mass 418.178023932 u
Formula C26H26O5
InChI InChI=1S/C26H26O5/c1-4-5-6-19-7-11-22(12-8-19)30-26(28)24-16-15-23(17-18(24)2)31-25(27)20-9-13-21(29-3)14-10-20/h7-17H,4-6H2,1-3H3
InChIKey QFHKXCJFXJUECF-UHFFFAOYSA-N
Molecular Weight 418.489 g/mol
SMILES C=1C(=C(C=C(C1)OC(C=1C=CC(=CC1)OC)=O)C)C(OC=1C=CC(=CC1)CCCC)=O