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Succinic acid, dodec-2-en-1-yl 3-chlorophenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, dodec-2-en-1-yl 3-chlorophenyl ester
SpectraBase Compound ID 5BaF3jbaFlc
InChI InChI=1S/C22H31ClO4/c1-2-3-4-5-6-7-8-9-10-11-17-26-21(24)15-16-22(25)27-20-14-12-13-19(23)18-20/h10-14,18H,2-9,15-17H2,1H3/b11-10+
InChIKey SPGFJKZEHMWBTJ-ZHACJKMWSA-N
Mol Weight 394.94 g/mol
Molecular Formula C22H31ClO4
Exact Mass 394.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5B77tL2IHTD
Name Succinic acid, dodec-2-en-1-yl 3-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.191087174 u
Formula C22H31ClO4
InChI InChI=1S/C22H31ClO4/c1-2-3-4-5-6-7-8-9-10-11-17-26-21(24)15-16-22(25)27-20-14-12-13-19(23)18-20/h10-14,18H,2-9,15-17H2,1H3/b11-10+
InChIKey SPGFJKZEHMWBTJ-ZHACJKMWSA-N
Molecular Weight 394.939 g/mol
SMILES C(CC(OC\C=C\CCCCCCCCC)=O)C(OC1=CC(=CC=C1)Cl)=O