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Phthalic acid, 2-(2-methoxyethyl)hexyl pentyl ester

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

Phthalic acid, 2-(2-methoxyethyl)hexyl pentyl ester
SpectraBase Compound ID 6ftzdignGCm
InChI InChI=1S/C22H34O5/c1-4-6-10-15-26-21(23)19-12-8-9-13-20(19)22(24)27-17-18(11-7-5-2)14-16-25-3/h8-9,12-13,18H,4-7,10-11,14-17H2,1-3H3
InChIKey BPBNQKJHIDZMNJ-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78CbTfgp8Zj
Name Phthalic acid, 2-(2-methoxyethyl)hexyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-4-6-10-15-26-21(23)19-12-8-9-13-20(19)22(24)27-17-18(11-7-5-2)14-16-25-3/h8-9,12-13,18H,4-7,10-11,14-17H2,1-3H3
InChIKey BPBNQKJHIDZMNJ-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(=O)OCCCCC)=O)(CCCC)CCOC