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Terephthalic acid, hept-3-yl undecyl ester

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Terephthalic acid, hept-3-yl undecyl ester
SpectraBase Compound ID Enxu7YFTl9M
InChI InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-14-15-21-29-25(27)22-17-19-23(20-18-22)26(28)30-24(6-3)16-8-5-2/h17-20,24H,4-16,21H2,1-3H3
InChIKey AYMJNCMALAVPJJ-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 nfMhGk5qzn
Name Terephthalic acid, hept-3-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/c1-4-7-9-10-11-12-13-14-15-21-29-25(27)22-17-19-23(20-18-22)26(28)30-24(6-3)16-8-5-2/h17-20,24H,4-16,21H2,1-3H3
InChIKey AYMJNCMALAVPJJ-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCCCCCCC)=O)C(OC(CC)CCCC)=O