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Isophthalic acid, heptyl 3-pentyl ester
SpectraBase Compound ID 29vs5bhGbGk
InChI InChI=1S/C20H30O4/c1-4-7-8-9-10-14-23-19(21)16-12-11-13-17(15-16)20(22)24-18(5-2)6-3/h11-13,15,18H,4-10,14H2,1-3H3
InChIKey XFXBPQGLTMWDDL-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EDCc8hoEVS
Name Isophthalic acid, heptyl 3-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-4-7-8-9-10-14-23-19(21)16-12-11-13-17(15-16)20(22)24-18(5-2)6-3/h11-13,15,18H,4-10,14H2,1-3H3
InChIKey XFXBPQGLTMWDDL-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES CCCCCCCOC(C1=CC(=CC=C1)C(OC(CC)CC)=O)=O