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Succinic acid, dodec-2-en-1-yl 2-chloro-4-methylphenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, dodec-2-en-1-yl 2-chloro-4-methylphenyl ester
SpectraBase Compound ID JJYHF2psDBZ
InChI InChI=1S/C23H33ClO4/c1-3-4-5-6-7-8-9-10-11-12-17-27-22(25)15-16-23(26)28-21-14-13-19(2)18-20(21)24/h11-14,18H,3-10,15-17H2,1-2H3/b12-11+
InChIKey KUXGYUKZZUSETE-VAWYXSNFSA-N
Mol Weight 409.0 g/mol
Molecular Formula C23H33ClO4
Exact Mass 408.206737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmfYWsFscES
Name Succinic acid, dodec-2-en-1-yl 2-chloro-4-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.206737239 u
Formula C23H33ClO4
InChI InChI=1S/C23H33ClO4/c1-3-4-5-6-7-8-9-10-11-12-17-27-22(25)15-16-23(26)28-21-14-13-19(2)18-20(21)24/h11-14,18H,3-10,15-17H2,1-2H3/b12-11+
InChIKey KUXGYUKZZUSETE-VAWYXSNFSA-N
Molecular Weight 408.966 g/mol
SMILES C(CC(OC\C=C\CCCCCCCCC)=O)C(OC1=C(C=C(C)C=C1)Cl)=O