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Hyperconfluentic acid
SpectraBase Compound ID AyX0fJt7wwy
InChI InChI=1S/C30H40O8/c1-5-7-9-10-12-13-21-18-23(19-26(37-4)27(21)29(33)34)38-30(35)28-24(32)16-20(17-25(28)36-3)15-22(31)14-11-8-6-2/h16-19,32H,5-15H2,1-4H3,(H,33,34)
InChIKey KASPCDYJOBGTLE-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C30H40O8
Exact Mass 528.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIFnBMBF6nF
Name Hyperconfluentic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40O8
InChI InChI=1S/C30H40O8/c1-5-7-9-10-12-13-21-18-23(19-26(37-4)27(21)29(33)34)38-30(35)28-24(32)16-20(17-25(28)36-3)15-22(31)14-11-8-6-2/h16-19,32H,5-15H2,1-4H3,(H,33,34)
InChIKey KASPCDYJOBGTLE-UHFFFAOYSA-N
Molecular Weight 528.642 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2OC)CC(=O)CCCCC)O)=O)cc1CCCCCCC)OC)=O
SPLASH splash10-01qi-0910000000-52102d9a40407d6d341e
Source of Spectrum B-50-485-41
Synonyms 2-Heptyl-4-{[2-hydroxy-6-methoxy-4-(2-oxoheptyl)benzoyl]oxy}-6-methoxybenzoic acid
Wiley ID 745663