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

View entire compound with spectra: 2 NMR

4,2-Cresotic acid, p-butylphenyl ester, p-butylbenzoate
SpectraBase Compound ID D60Wf9IGpsY
InChI InChI=1S/C29H32O4/c1-4-6-8-22-10-14-24(15-11-22)28(30)33-26-18-19-27(21(3)20-26)29(31)32-25-16-12-23(13-17-25)9-7-5-2/h10-20H,4-9H2,1-3H3
InChIKey CIZOSCDWRXKIEG-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C29H32O4
Exact Mass 444.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwMvCvMn2oY
Name 4,2-Cresotic acid, p-butylphenyl ester, p-butylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.230059506 u
Formula C29H32O4
InChI InChI=1S/C29H32O4/c1-4-6-8-22-10-14-24(15-11-22)28(30)33-26-18-19-27(21(3)20-26)29(31)32-25-16-12-23(13-17-25)9-7-5-2/h10-20H,4-9H2,1-3H3
InChIKey CIZOSCDWRXKIEG-UHFFFAOYSA-N
Molecular Weight 444.571 g/mol
SMILES C1=C(C=CC(=C1)CCCC)C(OC=1C=C(C(=CC1)C(OC=1C=CC(=CC1)CCCC)=O)C)=O