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Isophthalic acid, heptyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, heptyl 2-propylphenyl ester
SpectraBase Compound ID 7ciXW7rDrVK
InChI InChI=1S/C24H30O4/c1-3-5-6-7-10-17-27-23(25)20-14-11-15-21(18-20)24(26)28-22-16-9-8-13-19(22)12-4-2/h8-9,11,13-16,18H,3-7,10,12,17H2,1-2H3
InChIKey NUSCMHUTPLLRKN-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 GQURhlkiMyb
Name Isophthalic acid, heptyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-3-5-6-7-10-17-27-23(25)20-14-11-15-21(18-20)24(26)28-22-16-9-8-13-19(22)12-4-2/h8-9,11,13-16,18H,3-7,10,12,17H2,1-2H3
InChIKey NUSCMHUTPLLRKN-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCC)C(OC=1C(CCC)=CC=CC1)=O