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Phthalic acid, hept-4-yl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hept-4-yl tridecyl ester
SpectraBase Compound ID A0Bv7J4mOE0
InChI InChI=1S/C28H46O4/c1-4-7-8-9-10-11-12-13-14-15-18-23-31-27(29)25-21-16-17-22-26(25)28(30)32-24(19-5-2)20-6-3/h16-17,21-22,24H,4-15,18-20,23H2,1-3H3
InChIKey UCMOVUBHHHLBLL-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 9Zr2ySMq7pN
Name Phthalic acid, hept-4-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-7-8-9-10-11-12-13-14-15-18-23-31-27(29)25-21-16-17-22-26(25)28(30)32-24(19-5-2)20-6-3/h16-17,21-22,24H,4-15,18-20,23H2,1-3H3
InChIKey UCMOVUBHHHLBLL-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCCCCCCCCCCCC)=O