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Adipic acid, isohexyl 2-phenylphenyl ester

View entire compound with spectra: 1 NMR

Adipic acid, isohexyl 2-phenylphenyl ester
SpectraBase Compound ID FJHjRA0HNTj
InChI InChI=1S/C24H30O4/c1-19(2)11-10-18-27-23(25)16-8-9-17-24(26)28-22-15-7-6-14-21(22)20-12-4-3-5-13-20/h3-7,12-15,19H,8-11,16-18H2,1-2H3
InChIKey UKPQUJWWZLUKBJ-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8R34ZpeTITZ
Name Adipic acid, isohexyl 2-phenylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-19(2)11-10-18-27-23(25)16-8-9-17-24(26)28-22-15-7-6-14-21(22)20-12-4-3-5-13-20/h3-7,12-15,19H,8-11,16-18H2,1-2H3
InChIKey UKPQUJWWZLUKBJ-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1(=C(C=CC=C1)OC(=O)CCCCC(OCCCC(C)C)=O)C1=CC=CC=C1