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superconfluentic acid
SpectraBase Compound ID 3VvSiiz4nO4
InChI InChI=1S/C32H44O8/c1-4-6-8-10-12-14-16-24(33)17-23-18-25(34)20-27(35)29(23)32(38)40-26-19-22(15-13-11-9-7-5-2)30(31(36)37)28(21-26)39-3/h18-21,34-35H,4-17H2,1-3H3,(H,36,37)
InChIKey OTJPLIPMOXQMOM-UHFFFAOYSA-N
Mol Weight 556.7 g/mol
Molecular Formula C32H44O8
Exact Mass 556.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hBp79BRWqT
Name superconfluentic acid
Alternate Name(s) 3-{[2,4-dihydroxy-6-(2-oxodecyl)benzoyl]oxy}-6-heptyl-2-methoxybenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H44O8
InChI InChI=1S/C32H44O8/c1-4-6-8-10-12-14-16-24(33)17-23-18-25(34)20-27(35)29(23)32(38)40-26-19-22(15-13-11-9-7-5-2)30(31(36)37)28(21-26)39-3/h18-21,34-35H,4-17H2,1-3H3,(H,36,37)
InChIKey OTJPLIPMOXQMOM-UHFFFAOYSA-N
Molecular Weight 556.696 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2CC(=O)CCCCCCCC)O)O)=O)cc1CCCCCCC)OC)=O
SPLASH splash10-0a5i-1910000000-5efb73b78eb25881448c
Source of Spectrum JA-49-917-0
Wiley ID 1406405