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Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2"-oxoheptyl)benzoyloxy]-2-methoxybenzoate
SpectraBase Compound ID 8nXj0gzbKmD
InChI InChI=1S/C37H46O8/c1-5-7-9-10-15-18-27-21-31(24-33(43-4)35(27)36(40)44-25-26-16-13-11-14-17-26)45-37(41)34-28(20-29(38)19-12-8-6-2)22-30(42-3)23-32(34)39/h11,13-14,16-17,21-24,39H,5-10,12,15,18-20,25H2,1-4H3
InChIKey RWBRFZTYXWMMLR-UHFFFAOYSA-N
Mol Weight 618.8 g/mol
Molecular Formula C37H46O8
Exact Mass 618.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwmUsrV25af
Name Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2"-oxoheptyl)benzoyloxy]-2-methoxybenzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H46O8
InChI InChI=1S/C37H46O8/c1-5-7-9-10-15-18-27-21-31(24-33(43-4)35(27)36(40)44-25-26-16-13-11-14-17-26)45-37(41)34-28(20-29(38)19-12-8-6-2)22-30(42-3)23-32(34)39/h11,13-14,16-17,21-24,39H,5-10,12,15,18-20,25H2,1-4H3
InChIKey RWBRFZTYXWMMLR-UHFFFAOYSA-N
Molecular Weight 618.767 g/mol
SMILES Oc1c(C(Oc2cc(OC)c(c(c2)CCCCCCC)C(OCc2ccccc2)=O)=O)c(cc(c1)OC)CC(=O)CCCCC
SPLASH splash10-0006-9000000000-737410097e93d7843e5c
Source of Spectrum B-50-484-30
Synonyms 4-[(benzyloxy)carbonyl]-3-heptyl-5-methoxyphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzyloxy]-2-methoxybenzoate Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzoyloxy]-2-methoxybenzoate benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzyloxy]-2-methoxybenzoate Benzyl hyperconfluentate
Wiley ID 745674