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2-Chlorophenyl 3-[(4-isopropylphenoxy)methyl]benzoate
SpectraBase Compound ID HueXe7qGdFX
InChI InChI=1S/C23H21ClO3/c1-16(2)18-10-12-20(13-11-18)26-15-17-6-5-7-19(14-17)23(25)27-22-9-4-3-8-21(22)24/h3-14,16H,15H2,1-2H3
InChIKey AJDYTKLEZNEIJP-UHFFFAOYSA-N
Mol Weight 380.87 g/mol
Molecular Formula C23H21ClO3
Exact Mass 380.117922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KySDpEamGWo
Name 2-Chlorophenyl 3-[(4-isopropylphenoxy)methyl]benzoate
Comments Computed using HOSE algorithm
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Exact Mass 380.117922233 u
Formula C23H21ClO3
InChI InChI=1S/C23H21ClO3/c1-16(2)18-10-12-20(13-11-18)26-15-17-6-5-7-19(14-17)23(25)27-22-9-4-3-8-21(22)24/h3-14,16H,15H2,1-2H3
InChIKey AJDYTKLEZNEIJP-UHFFFAOYSA-N
Molecular Weight 380.871 g/mol
SMILES C(OC=1C(Cl)=CC=CC1)(C=1C=C(COC=2C=CC(=CC2)C(C)C)C=CC1)=O