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Succinic acid, hexadecyl 2-methylphenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, hexadecyl 2-methylphenyl ester
SpectraBase Compound ID 24IicJk4R22
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-30-26(28)21-22-27(29)31-25-20-17-16-19-24(25)2/h16-17,19-20H,3-15,18,21-23H2,1-2H3
InChIKey ZGWRDTQRKVVQBT-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A22tM7T1wOw
Name Succinic acid, hexadecyl 2-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-30-26(28)21-22-27(29)31-25-20-17-16-19-24(25)2/h16-17,19-20H,3-15,18,21-23H2,1-2H3
InChIKey ZGWRDTQRKVVQBT-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(CCOC(CCC(OC1=CC=CC=C1C)=O)=O)CCCCCCCCCCCCC