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Benzenetridecanoic acid, 4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzenetridecanoic acid, 4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
SpectraBase Compound ID ENycJrexCz9
InChI InChI=1S/C44H72O4/c1-36(2)24-19-15-13-14-17-21-28-41-42(47-6)34-39(27-23-25-37(3)4)35-43(41)48-44(45)29-22-18-12-10-8-7-9-11-16-20-26-38-30-32-40(46-5)33-31-38/h30-37H,7-29H2,1-6H3
InChIKey LSSNWMWRADBUQT-UHFFFAOYSA-N
Mol Weight 665.1 g/mol
Molecular Formula C44H72O4
Exact Mass 664.543061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzTyjQUDUmn
Name Benzenetridecanoic acid, 4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 664.543060794 u
Formula C44H72O4
InChI InChI=1S/C44H72O4/c1-36(2)24-19-15-13-14-17-21-28-41-42(47-6)34-39(27-23-25-37(3)4)35-43(41)48-44(45)29-22-18-12-10-8-7-9-11-16-20-26-38-30-32-40(46-5)33-31-38/h30-37H,7-29H2,1-6H3
InChIKey LSSNWMWRADBUQT-UHFFFAOYSA-N
SMILES C=1(C(=C(OC)C=C(C1)CCCC(C)C)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC=1C=CC(=CC1)OC