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Benzeneheptadecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester

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

Benzeneheptadecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
SpectraBase Compound ID 1M7Tj93Ot2p
InChI InChI=1S/C46H76O4/c1-5-7-9-10-11-21-24-28-32-43-44(49-4)38-41(31-26-8-6-2)39-45(43)50-46(47)33-29-25-22-19-17-15-13-12-14-16-18-20-23-27-30-40-34-36-42(48-3)37-35-40/h34-39H,5-33H2,1-4H3
InChIKey VZBYDPVACMKTIF-UHFFFAOYSA-N
Mol Weight 693.1 g/mol
Molecular Formula C46H76O4
Exact Mass 692.574361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuTYzJW8xuj
Name Benzeneheptadecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 692.574360923 u
Formula C46H76O4
InChI InChI=1S/C46H76O4/c1-5-7-9-10-11-21-24-28-32-43-44(49-4)38-41(31-26-8-6-2)39-45(43)50-46(47)33-29-25-22-19-17-15-13-12-14-16-18-20-23-27-30-40-34-36-42(48-3)37-35-40/h34-39H,5-33H2,1-4H3
InChIKey VZBYDPVACMKTIF-UHFFFAOYSA-N
Molecular Weight 693.110 g/mol
SMILES C=1(C(=C(OC)C=C(C1)CCCCC)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC=1C=CC(=CC1)OC