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Benzyl 4-[4'-benzyloxy-2'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate

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

Benzyl 4-[4'-benzyloxy-2'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
SpectraBase Compound ID GLhvwKW1GyK
InChI InChI=1S/C48H58O9/c1-5-7-9-11-19-25-39(49)27-37-29-41(55-33-35-21-15-13-16-22-35)31-43(53-3)46(37)48(52)57-42-30-38(28-40(50)26-20-12-10-8-6-2)45(44(32-42)54-4)47(51)56-34-36-23-17-14-18-24-36/h13-18,21-24,29-32H,5-12,19-20,25-28,33-34H2,1-4H3
InChIKey GJYSGFRPKDIASW-UHFFFAOYSA-N
Mol Weight 779.0 g/mol
Molecular Formula C48H58O9
Exact Mass 778.408083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zSRFq2rcvn
Name Benzyl 4-[4'-benzyloxy-2'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 778.408083439 u
Formula C48H58O9
InChI InChI=1S/C48H58O9/c1-5-7-9-11-19-25-39(49)27-37-29-41(55-33-35-21-15-13-16-22-35)31-43(53-3)46(37)48(52)57-42-30-38(28-40(50)26-20-12-10-8-6-2)45(44(32-42)54-4)47(51)56-34-36-23-17-14-18-24-36/h13-18,21-24,29-32H,5-12,19-20,25-28,33-34H2,1-4H3
InChIKey GJYSGFRPKDIASW-UHFFFAOYSA-N
Molecular Weight 778.983 g/mol
SMILES C1(C(OC=2C=C(OC)C(=C(C2)CC(=O)CCCCCCC)C(OCC2=CC=CC=C2)=O)=O)=C(C=C(C=C1OC)OCC1=CC=CC=C1)CC(=O)CCCCCCC