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Succinic acid, 3-chlorobenzyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3-chlorobenzyl 2-methylhex-3-yl ester
SpectraBase Compound ID Imsl6XQDWwS
InChI InChI=1S/C18H25ClO4/c1-4-6-16(13(2)3)23-18(21)10-9-17(20)22-12-14-7-5-8-15(19)11-14/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3
InChIKey JMWMEFALGGZNDH-UHFFFAOYSA-N
Mol Weight 340.85 g/mol
Molecular Formula C18H25ClO4
Exact Mass 340.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nqgA4HDf9n
Name Succinic acid, 3-chlorobenzyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.144136981 u
Formula C18H25ClO4
InChI InChI=1S/C18H25ClO4/c1-4-6-16(13(2)3)23-18(21)10-9-17(20)22-12-14-7-5-8-15(19)11-14/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3
InChIKey JMWMEFALGGZNDH-UHFFFAOYSA-N
Molecular Weight 340.847 g/mol
SMILES C(CCC(OCC1=CC(=CC=C1)Cl)=O)(OC(CCC)C(C)C)=O