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Succinic acid, naphth-2-ylmethyl 2-chloro-4-methylphenyl ester
SpectraBase Compound ID 9wNPCURKcup
InChI InChI=1S/C22H19ClO4/c1-15-6-9-20(19(23)12-15)27-22(25)11-10-21(24)26-14-16-7-8-17-4-2-3-5-18(17)13-16/h2-9,12-13H,10-11,14H2,1H3
InChIKey DENJQCLUBGHGJC-UHFFFAOYSA-N
Mol Weight 382.84 g/mol
Molecular Formula C22H19ClO4
Exact Mass 382.097187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqB2bomwa1F
Name Succinic acid, naphth-2-ylmethyl 2-chloro-4-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.097186788 u
Formula C22H19ClO4
InChI InChI=1S/C22H19ClO4/c1-15-6-9-20(19(23)12-15)27-22(25)11-10-21(24)26-14-16-7-8-17-4-2-3-5-18(17)13-16/h2-9,12-13H,10-11,14H2,1H3
InChIKey DENJQCLUBGHGJC-UHFFFAOYSA-N
Molecular Weight 382.843 g/mol
SMILES C(CC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC1=C(C=C(C)C=C1)Cl)=O