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Phthalic acid, hept-4-yl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hept-4-yl undecyl ester
SpectraBase Compound ID 4n73HA5Z5MD
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-16-21-29-25(27)23-19-14-15-20-24(23)26(28)30-22(17-5-2)18-6-3/h14-15,19-20,22H,4-13,16-18,21H2,1-3H3
InChIKey VIFFCXJUMFXIPP-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 Dcx5JW1Z0u5
Name Phthalic acid, hept-4-yl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-16-21-29-25(27)23-19-14-15-20-24(23)26(28)30-22(17-5-2)18-6-3/h14-15,19-20,22H,4-13,16-18,21H2,1-3H3
InChIKey VIFFCXJUMFXIPP-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCCCCCCCCCC)=O