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Phthalic acid, 6-ethyloct-3-yl phenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 6-ethyloct-3-yl phenyl ester
SpectraBase Compound ID 3BzCA8EOqhd
InChI InChI=1S/C24H30O4/c1-4-18(5-2)16-17-19(6-3)27-23(25)21-14-10-11-15-22(21)24(26)28-20-12-8-7-9-13-20/h7-15,18-19H,4-6,16-17H2,1-3H3
InChIKey IDLFVEOQIFRTPW-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91fGWxzTRtK
Name Phthalic acid, 6-ethyloct-3-yl phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-18(5-2)16-17-19(6-3)27-23(25)21-14-10-11-15-22(21)24(26)28-20-12-8-7-9-13-20/h7-15,18-19H,4-6,16-17H2,1-3H3
InChIKey IDLFVEOQIFRTPW-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C(C(OC(=O)C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O)CCC(CC)CC)C