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Ditridecyl phthalate

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 3 MS (GC)

Ditridecyl phthalate
SpectraBase Compound ID CJp7qw6ZjBa
InChI InChI=1S/C34H58O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26,29-30H2,1-2H3
InChIKey YCZJVRCZIPDYHH-UHFFFAOYSA-N
Mol Weight 530.8 g/mol
Molecular Formula C34H58O4
Exact Mass 530.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73x33F83zEJ
Name Ditridecyl phthalate
Comments Computed using HOSE algorithm
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Exact Mass 530.433510344 u
Formula C34H58O4
InChI InChI=1S/C34H58O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26,29-30H2,1-2H3
InChIKey YCZJVRCZIPDYHH-UHFFFAOYSA-N
Molecular Weight 530.834 g/mol
SMILES C=1C(=C(C=CC1)C(OCCCCCCCCCCCCC)=O)C(OCCCCCCCCCCCCC)=O