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Isophthalic acid, 2,3-dichlorophenyl ester hehyl

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,3-dichlorophenyl ester hehyl
SpectraBase Compound ID ENlKmFgzR3g
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-12-25-19(23)14-8-6-9-15(13-14)20(24)26-17-11-7-10-16(21)18(17)22/h6-11,13H,2-5,12H2,1H3
InChIKey TUJVJBIUCUMFDC-UHFFFAOYSA-N
Mol Weight 395.28 g/mol
Molecular Formula C20H20Cl2O4
Exact Mass 394.073865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17Jkuquf40r
Name Isophthalic acid, 2,3-dichlorophenyl ester hehyl
Comments Computed using HOSE algorithm
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Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-12-25-19(23)14-8-6-9-15(13-14)20(24)26-17-11-7-10-16(21)18(17)22/h6-11,13H,2-5,12H2,1H3
InChIKey TUJVJBIUCUMFDC-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES C1=C(C(=C(C=C1)Cl)Cl)OC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O