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Phthalic acid, isobutyl 1-methoxydec-4-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isobutyl 1-methoxydec-4-yl ester
SpectraBase Compound ID EwZXp5Le2Gb
InChI InChI=1S/C23H36O5/c1-5-6-7-8-12-19(13-11-16-26-4)28-23(25)21-15-10-9-14-20(21)22(24)27-17-18(2)3/h9-10,14-15,18-19H,5-8,11-13,16-17H2,1-4H3
InChIKey XHALBWUTQOFDTC-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gUN7OqZeOP
Name Phthalic acid, isobutyl 1-methoxydec-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-5-6-7-8-12-19(13-11-16-26-4)28-23(25)21-15-10-9-14-20(21)22(24)27-17-18(2)3/h9-10,14-15,18-19H,5-8,11-13,16-17H2,1-4H3
InChIKey XHALBWUTQOFDTC-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C1(=C(C=CC=C1)C(OC(CCCOC)CCCCCC)=O)C(OCC(C)C)=O