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Phthalic acid, dec-2-yl dodecyl ester

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

Phthalic acid, dec-2-yl dodecyl ester
SpectraBase Compound ID KTYOkhfUPUZ
InChI InChI=1S/C30H50O4/c1-4-6-8-10-12-13-14-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26(3)22-18-16-11-9-7-5-2/h19-20,23-24,26H,4-18,21-22,25H2,1-3H3
InChIKey QDHVFERKVIBEER-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 7DwumFJWmHC
Name Phthalic acid, dec-2-yl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-6-8-10-12-13-14-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26(3)22-18-16-11-9-7-5-2/h19-20,23-24,26H,4-18,21-22,25H2,1-3H3
InChIKey QDHVFERKVIBEER-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCC)=O)C(OC(C)CCCCCCCC)=O