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Isophthalic acid, di(dec-2-yl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isophthalic acid, di(dec-2-yl) ester
SpectraBase Compound ID JTPKCXiXZC2
InChI InChI=1S/C28H46O4/c1-5-7-9-11-13-15-18-23(3)31-27(29)25-20-17-21-26(22-25)28(30)32-24(4)19-16-14-12-10-8-6-2/h17,20-24H,5-16,18-19H2,1-4H3
InChIKey AZZXNKQCXJSCSM-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 Fe7t9oxkS3s
Name Isophthalic acid, di(dec-2-yl) ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-7-9-11-13-15-18-23(3)31-27(29)25-20-17-21-26(22-25)28(30)32-24(4)19-16-14-12-10-8-6-2/h17,20-24H,5-16,18-19H2,1-4H3
InChIKey AZZXNKQCXJSCSM-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=C(C=CC=C1C(OC(C)CCCCCCCC)=O)C(=O)OC(CCCCCCCC)C