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

View entire compound with spectra: 1 NMR

4-(4-Chloro-2-methylphenoxy)butyric acid, undecyl ester
SpectraBase Compound ID 25ZqM5VR5PN
InChI InChI=1S/C22H35ClO3/c1-3-4-5-6-7-8-9-10-11-16-26-22(24)13-12-17-25-21-15-14-20(23)18-19(21)2/h14-15,18H,3-13,16-17H2,1-2H3
InChIKey ZKACEPCRHZMOBP-UHFFFAOYSA-N
Mol Weight 383.0 g/mol
Molecular Formula C22H35ClO3
Exact Mass 382.227473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJ0t4LFzKWI
Name 4-(4-Chloro-2-methylphenoxy)butyric acid, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.227472684 u
Formula C22H35ClO3
InChI InChI=1S/C22H35ClO3/c1-3-4-5-6-7-8-9-10-11-16-26-22(24)13-12-17-25-21-15-14-20(23)18-19(21)2/h14-15,18H,3-13,16-17H2,1-2H3
InChIKey ZKACEPCRHZMOBP-UHFFFAOYSA-N
Molecular Weight 382.972 g/mol
SMILES C(CC(OCCCCCCCCCCC)=O)COC=1C(C)=CC(=CC1)Cl