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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-methoxydec-4-yl pentyl ester
SpectraBase Compound ID D1Wncu2m4Md
InChI InChI=1S/C24H38O5/c1-4-6-8-9-14-20(15-13-18-27-3)29-24(26)22-17-11-10-16-21(22)23(25)28-19-12-7-5-2/h10-11,16-17,20H,4-9,12-15,18-19H2,1-3H3
InChIKey PQTXSPMMIZKCNG-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 KhTj8TrJCdh
Name Phthalic acid, 1-methoxydec-4-yl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-4-6-8-9-14-20(15-13-18-27-3)29-24(26)22-17-11-10-16-21(22)23(25)28-19-12-7-5-2/h10-11,16-17,20H,4-9,12-15,18-19H2,1-3H3
InChIKey PQTXSPMMIZKCNG-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C1(=C(C=CC=C1)C(OCCCCC)=O)C(OC(CCCOC)CCCCCC)=O