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4-(4-Chloro-2-methylphenoxy)butyric acid, tetradecyl ester

View entire compound with spectra: 1 NMR

4-(4-Chloro-2-methylphenoxy)butyric acid, tetradecyl ester
SpectraBase Compound ID 69T2jseHApI
InChI InChI=1S/C25H41ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-25(27)16-15-20-28-24-18-17-23(26)21-22(24)2/h17-18,21H,3-16,19-20H2,1-2H3
InChIKey QHNPDYQMPIWYKA-UHFFFAOYSA-N
Mol Weight 425.1 g/mol
Molecular Formula C25H41ClO3
Exact Mass 424.274423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GMQ0BIDEMc
Name 4-(4-Chloro-2-methylphenoxy)butyric acid, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.274422877 u
Formula C25H41ClO3
InChI InChI=1S/C25H41ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-25(27)16-15-20-28-24-18-17-23(26)21-22(24)2/h17-18,21H,3-16,19-20H2,1-2H3
InChIKey QHNPDYQMPIWYKA-UHFFFAOYSA-N
Molecular Weight 425.053 g/mol
SMILES C(CC(OCCCCCCCCCCCCCC)=O)COC=1C(C)=CC(=CC1)Cl