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Phthalic acid, isohexyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl tridecyl ester
SpectraBase Compound ID 6rikjeJxJHy
InChI InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3
InChIKey VVZFFYHGPSKIEN-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n70cYoGrDm
Name Phthalic acid, isohexyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3
InChIKey VVZFFYHGPSKIEN-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCC(C)C)C(=O)OCCCCCCCCCCCCC