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

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2-methylpent-3-yl ester
SpectraBase Compound ID CczBLYgMYIf
InChI InChI=1S/C24H38O4/c1-5-7-8-9-10-11-12-15-18-27-23(25)20-16-13-14-17-21(20)24(26)28-22(6-2)19(3)4/h13-14,16-17,19,22H,5-12,15,18H2,1-4H3
InChIKey GCMMKJLHDCRXCN-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xnqJaDSfbp
Name Phthalic acid, decyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-5-7-8-9-10-11-12-15-18-27-23(25)20-16-13-14-17-21(20)24(26)28-22(6-2)19(3)4/h13-14,16-17,19,22H,5-12,15,18H2,1-4H3
InChIKey GCMMKJLHDCRXCN-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCC