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4-(6'-heptyl-4'-hydroxy-2'-methoxybenzoyloxy)-2-hydroxy-6-pentylbenzoic acid
SpectraBase Compound ID 4E4XOKZbu69
InChI InChI=1S/C27H36O7/c1-4-6-8-9-11-13-18-14-20(28)16-23(33-3)25(18)27(32)34-21-15-19(12-10-7-5-2)24(26(30)31)22(29)17-21/h14-17,28-29H,4-13H2,1-3H3,(H,30,31)
InChIKey SKRVNYRMCUUQAC-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C27H36O7
Exact Mass 472.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hwi5Mhv6oZU
Name 4-(6'-heptyl-4'-hydroxy-2'-methoxybenzoyloxy)-2-hydroxy-6-pentylbenzoic acid
Alternate Name(s) 4-[(2-heptyl-4-hydroxy-6-methoxybenzoyl)oxy]-2-hydroxy-6-pentylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O7
InChI InChI=1S/C27H36O7/c1-4-6-8-9-11-13-18-14-20(28)16-23(33-3)25(18)27(32)34-21-15-19(12-10-7-5-2)24(26(30)31)22(29)17-21/h14-17,28-29H,4-13H2,1-3H3,(H,30,31)
InChIKey SKRVNYRMCUUQAC-UHFFFAOYSA-N
Molecular Weight 472.578 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(cc(cc1CCCCCCC)O)OC)=O
SPLASH splash10-00di-0900000000-bea00e9a7909dd98a240
Source of Spectrum B-47-1345-0
Wiley ID 1393403