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Phthalic acid, hexadecyl 6-methylhept-2-yl ester

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Phthalic acid, hexadecyl 6-methylhept-2-yl ester
SpectraBase Compound ID JWgjGFP73z9
InChI InChI=1S/C32H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-35-31(33)29-24-18-19-25-30(29)32(34)36-28(4)23-21-22-27(2)3/h18-19,24-25,27-28H,5-17,20-23,26H2,1-4H3
InChIKey NWNMFXJGGKIFGV-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRHrFssH22s
Name Phthalic acid, hexadecyl 6-methylhept-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-35-31(33)29-24-18-19-25-30(29)32(34)36-28(4)23-21-22-27(2)3/h18-19,24-25,27-28H,5-17,20-23,26H2,1-4H3
InChIKey NWNMFXJGGKIFGV-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCCCCCCCCCCC)=O