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

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 1-methoxydec-4-yl ester
SpectraBase Compound ID Kap1vKdSnOm
InChI InChI=1S/C23H36O5/c1-4-6-8-9-13-19(14-12-17-26-3)28-23(25)21-16-11-10-15-20(21)22(24)27-18-7-5-2/h10-11,15-16,19H,4-9,12-14,17-18H2,1-3H3
InChIKey XKTVMFWGTZRQIH-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 IMX1rrIJsj9
Name Phthalic acid, butyl 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/c1-4-6-8-9-13-19(14-12-17-26-3)28-23(25)21-16-11-10-15-20(21)22(24)27-18-7-5-2/h10-11,15-16,19H,4-9,12-14,17-18H2,1-3H3
InChIKey XKTVMFWGTZRQIH-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C1(=C(C=CC=C1)C(OC(CCCOC)CCCCCC)=O)C(OCCCC)=O