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Phthalic acid, 3-(2-methoxyethyl)octyl pentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 3-(2-methoxyethyl)octyl pentyl ester
SpectraBase Compound ID G80HL9hI6kK
InChI InChI=1S/C24H38O5/c1-4-6-8-12-20(15-18-27-3)16-19-29-24(26)22-14-10-9-13-21(22)23(25)28-17-11-7-5-2/h9-10,13-14,20H,4-8,11-12,15-19H2,1-3H3
InChIKey HQGCVKKCSUMHQE-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5FRI8FCgR8
Name Phthalic acid, 3-(2-methoxyethyl)octyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-4-6-8-12-20(15-18-27-3)16-19-29-24(26)22-14-10-9-13-21(22)23(25)28-17-11-7-5-2/h9-10,13-14,20H,4-8,11-12,15-19H2,1-3H3
InChIKey HQGCVKKCSUMHQE-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C1(=C(C=CC=C1)C(OCCCCC)=O)C(OCCC(CCCCC)CCOC)=O