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Phthalic acid, 3-methylbenzyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylbenzyl decyl ester
SpectraBase Compound ID AtjwBP7NUUz
InChI InChI=1S/C26H34O4/c1-3-4-5-6-7-8-9-12-18-29-25(27)23-16-10-11-17-24(23)26(28)30-20-22-15-13-14-21(2)19-22/h10-11,13-17,19H,3-9,12,18,20H2,1-2H3
InChIKey IVXKHQGPFFXUEX-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJ2kPNfEMT0
Name Phthalic acid, 3-methylbenzyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-3-4-5-6-7-8-9-12-18-29-25(27)23-16-10-11-17-24(23)26(28)30-20-22-15-13-14-21(2)19-22/h10-11,13-17,19H,3-9,12,18,20H2,1-2H3
InChIKey IVXKHQGPFFXUEX-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCC)=O)C(OCC1=CC=CC(=C1)C)=O