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Isophthalic acid, 2-ethylbutyl hexadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-ethylbutyl hexadecyl ester
SpectraBase Compound ID 5qebYhWWdfz
InChI InChI=1S/C30H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33-29(31)27-21-20-22-28(24-27)30(32)34-25-26(5-2)6-3/h20-22,24,26H,4-19,23,25H2,1-3H3
InChIKey HCBSGHDRTPZBKB-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID btdUYZuVqt
Name Isophthalic acid, 2-ethylbutyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33-29(31)27-21-20-22-28(24-27)30(32)34-25-26(5-2)6-3/h20-22,24,26H,4-19,23,25H2,1-3H3
InChIKey HCBSGHDRTPZBKB-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCCCC)C(OCC(CC)CC)=O