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Phthalic acid, hex-3-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hex-3-yl pentadecyl ester
SpectraBase Compound ID 4TXpPj06S8Y
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-24-32-28(30)26-22-18-19-23-27(26)29(31)33-25(6-3)21-5-2/h18-19,22-23,25H,4-17,20-21,24H2,1-3H3
InChIKey RIQPUSFWPFEWHV-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gj63YHPiKbM
Name Phthalic acid, hex-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-24-32-28(30)26-22-18-19-23-27(26)29(31)33-25(6-3)21-5-2/h18-19,22-23,25H,4-17,20-21,24H2,1-3H3
InChIKey RIQPUSFWPFEWHV-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC=CC(=C1C(OC(CC)CCC)=O)C(OCCCCCCCCCCCCCCC)=O