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Succinic acid, 2-chloro-5-methylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-chloro-5-methylphenyl tetradecyl ester
SpectraBase Compound ID HMq1nQYwCLc
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-24(27)17-18-25(28)30-23-20-21(2)15-16-22(23)26/h15-16,20H,3-14,17-19H2,1-2H3
InChIKey OIVVXWWQTDEBIJ-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRew3Vi2tBr
Name Succinic acid, 2-chloro-5-methylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-24(27)17-18-25(28)30-23-20-21(2)15-16-22(23)26/h15-16,20H,3-14,17-19H2,1-2H3
InChIKey OIVVXWWQTDEBIJ-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCCCCCCCCCCCCCC)=O)=O