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

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, decyl 6-methylhept-2-yl ester
SpectraBase Compound ID 6MZQXjZPvs4
InChI InChI=1S/C26H42O4/c1-5-6-7-8-9-10-11-14-20-29-25(27)23-18-12-13-19-24(23)26(28)30-22(4)17-15-16-21(2)3/h12-13,18-19,21-22H,5-11,14-17,20H2,1-4H3
InChIKey SPIYXWRSQZKJDD-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxPLw0w9Dl8
Name Phthalic acid, decyl 6-methylhept-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-5-6-7-8-9-10-11-14-20-29-25(27)23-18-12-13-19-24(23)26(28)30-22(4)17-15-16-21(2)3/h12-13,18-19,21-22H,5-11,14-17,20H2,1-4H3
InChIKey SPIYXWRSQZKJDD-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCCCCC)=O