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Phthalic acid, dodecyl hex-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl hex-3-yl ester
SpectraBase Compound ID IrriRwzopVI
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22(6-3)18-5-2/h15-16,19-20,22H,4-14,17-18,21H2,1-3H3
InChIKey QKKKGMKEKPKSRR-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 6QwUqIsqi9E
Name Phthalic acid, dodecyl hex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22(6-3)18-5-2/h15-16,19-20,22H,4-14,17-18,21H2,1-3H3
InChIKey QKKKGMKEKPKSRR-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=CC=CC(=C1C(OC(CC)CCC)=O)C(OCCCCCCCCCCCC)=O