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Succinic acid, 2,3-dimethylphenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,3-dimethylphenyl hexadecyl ester
SpectraBase Compound ID I1BjGGKRpR4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-27(29)21-22-28(30)32-26-20-18-19-24(2)25(26)3/h18-20H,4-17,21-23H2,1-3H3
InChIKey WOWNXTNWKPANIB-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Au7DLqVXTXq
Name Succinic acid, 2,3-dimethylphenyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-27(29)21-22-28(30)32-26-20-18-19-24(2)25(26)3/h18-20H,4-17,21-23H2,1-3H3
InChIKey WOWNXTNWKPANIB-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CC(OC1=C(C(C)=CC=C1)C)=O)C(OCCCCCCCCCCCCCCCC)=O