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8-(Benzyloxy)-5,7-dichloroquinaldic acid, ethyl ester

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

8-(Benzyloxy)-5,7-dichloroquinaldic acid, ethyl ester
SpectraBase Compound ID pPTOrxBwrD
InChI InChI=1S/C19H15Cl2NO3/c1-2-24-19(23)16-9-8-13-14(20)10-15(21)18(17(13)22-16)25-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKey OHNOWZJHRHQGKQ-UHFFFAOYSA-N
Mol Weight 376.24 g/mol
Molecular Formula C19H15Cl2NO3
Exact Mass 375.042899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3Pq5ZY1PRM
Name 8-(Benzyloxy)-5,7-dichloroquinaldic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 375.042898744 u
Formula C19H15Cl2NO3
InChI InChI=1S/C19H15Cl2NO3/c1-2-24-19(23)16-9-8-13-14(20)10-15(21)18(17(13)22-16)25-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKey OHNOWZJHRHQGKQ-UHFFFAOYSA-N
Molecular Weight 376.239 g/mol
SMILES C=12C(=CC(=C(C1N=C(C=C2)C(OCC)=O)OCC=1C=CC=CC1)Cl)Cl