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

View entire compound with spectra: 1 NMR

Succinic acid, 3-chlorophenethyl 2-methylhex-3-yl ester
SpectraBase Compound ID 2pNip79ktp
InChI InChI=1S/C19H27ClO4/c1-4-6-17(14(2)3)24-19(22)10-9-18(21)23-12-11-15-7-5-8-16(20)13-15/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3
InChIKey HBPHBNKWWSQYLG-UHFFFAOYSA-N
Mol Weight 354.87 g/mol
Molecular Formula C19H27ClO4
Exact Mass 354.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkCwG5xdoei
Name Succinic acid, 3-chlorophenethyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.159787045 u
Formula C19H27ClO4
InChI InChI=1S/C19H27ClO4/c1-4-6-17(14(2)3)24-19(22)10-9-18(21)23-12-11-15-7-5-8-16(20)13-15/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3
InChIKey HBPHBNKWWSQYLG-UHFFFAOYSA-N
Molecular Weight 354.874 g/mol
SMILES C(CCC(OCCC1=CC(=CC=C1)Cl)=O)(OC(CCC)C(C)C)=O