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Phthalic acid, 2-methylpent-3-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylpent-3-yl tetradecyl ester
SpectraBase Compound ID 2ch4lmEhz8j
InChI InChI=1S/C28H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)24-20-17-18-21-25(24)28(30)32-26(6-2)23(3)4/h17-18,20-21,23,26H,5-16,19,22H2,1-4H3
InChIKey FVTLYUKFUMVHMF-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EB3nP7zcXyS
Name Phthalic acid, 2-methylpent-3-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)24-20-17-18-21-25(24)28(30)32-26(6-2)23(3)4/h17-18,20-21,23,26H,5-16,19,22H2,1-4H3
InChIKey FVTLYUKFUMVHMF-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCCCCC