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Phthalic acid, di(3-(2-methoxyethyl)octyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(3-(2-methoxyethyl)octyl) ester
SpectraBase Compound ID 2exAUK4qyOU
InChI InChI=1S/C30H50O6/c1-5-8-10-14-25(18-21-33-4)19-22-35-29(31)27-16-12-13-17-28(27)30(32)36-23-20-26(24-34-7-3)15-11-9-6-2/h12-13,16-17,25-26H,5-11,14-15,18-24H2,1-4H3
InChIKey MXLMDUOYEKVIKF-UHFFFAOYSA-N
Mol Weight 506.7 g/mol
Molecular Formula C30H50O6
Exact Mass 506.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeL47KuhUuG
Name Phthalic acid, di(3-(2-methoxyethyl)octyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 506.360739324 u
Formula C30H50O6
InChI InChI=1S/C30H50O6/c1-5-8-10-14-25(18-21-33-4)19-22-35-29(31)27-16-12-13-17-28(27)30(32)36-23-20-26(24-34-7-3)15-11-9-6-2/h12-13,16-17,25-26H,5-11,14-15,18-24H2,1-4H3
InChIKey MXLMDUOYEKVIKF-UHFFFAOYSA-N
Molecular Weight 506.724 g/mol
SMILES C1(=C(C=CC=C1)C(OCCC(CCCCC)CCOC)=O)C(OCCC(CCCCC)COCC)=O