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

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 1-methoxydec-4-yl ester
SpectraBase Compound ID DyzGTuu3P6C
InChI InChI=1S/C25H40O5/c1-4-6-8-10-15-21(16-14-19-28-3)30-25(27)23-18-12-11-17-22(23)24(26)29-20-13-9-7-5-2/h11-12,17-18,21H,4-10,13-16,19-20H2,1-3H3
InChIKey BTVZZUHPMIAJEK-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Rb0wsIj3NW
Name Phthalic acid, hexyl 1-methoxydec-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-4-6-8-10-15-21(16-14-19-28-3)30-25(27)23-18-12-11-17-22(23)24(26)29-20-13-9-7-5-2/h11-12,17-18,21H,4-10,13-16,19-20H2,1-3H3
InChIKey BTVZZUHPMIAJEK-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C1(=C(C=CC=C1)C(OCCCCCC)=O)C(OC(CCCOC)CCCCCC)=O