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

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

Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
SpectraBase Compound ID 9EmriUfDftv
InChI InChI=1S/C48H79ClO4/c1-39(2)28-23-19-17-18-21-25-32-43-46(52-6)37-42(31-27-29-40(3)4)38-47(43)53-48(50)33-26-22-16-14-12-10-8-7-9-11-13-15-20-24-30-41-34-35-45(51-5)44(49)36-41/h34-40H,7-33H2,1-6H3
InChIKey IXZVCNZMEBNRSM-UHFFFAOYSA-N
Mol Weight 755.6 g/mol
Molecular Formula C48H79ClO4
Exact Mass 754.566689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XaFltZzzK6
Name Benzeneheptadecanoic acid, 3-chloro-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 754.566688720 u
Formula C48H79ClO4
InChI InChI=1S/C48H79ClO4/c1-39(2)28-23-19-17-18-21-25-32-43-46(52-6)37-42(31-27-29-40(3)4)38-47(43)53-48(50)33-26-22-16-14-12-10-8-7-9-11-13-15-20-24-30-41-34-35-45(51-5)44(49)36-41/h34-40H,7-33H2,1-6H3
InChIKey IXZVCNZMEBNRSM-UHFFFAOYSA-N
Molecular Weight 755.609 g/mol
SMILES C(CC1=C(OC(CCCCCCCCCCCCCCCCC2=CC(Cl)=C(C=C2)OC)=O)C=C(C=C1OC)CCCC(C)C)CCCCCCC(C)C