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Phthalic acid, 3,3-dimethylbut-2-yl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,3-dimethylbut-2-yl octyl ester
SpectraBase Compound ID 55wDu3TncwN
InChI InChI=1S/C22H34O4/c1-6-7-8-9-10-13-16-25-20(23)18-14-11-12-15-19(18)21(24)26-17(2)22(3,4)5/h11-12,14-15,17H,6-10,13,16H2,1-5H3
InChIKey TXFQFZFATOIAER-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPEz8Ey2K1s
Name Phthalic acid, 3,3-dimethylbut-2-yl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-6-7-8-9-10-13-16-25-20(23)18-14-11-12-15-19(18)21(24)26-17(2)22(3,4)5/h11-12,14-15,17H,6-10,13,16H2,1-5H3
InChIKey TXFQFZFATOIAER-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C1=CC=CC(=C1C(OC(C(C)(C)C)C)=O)C(OCCCCCCCC)=O