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Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-6-propyl-
SpectraBase Compound ID HFZmbHMf5Xp
InChI InChI=1S/C23H28O7/c1-4-6-7-9-15-10-16(29-3)12-19(25)21(15)23(28)30-17-11-14(8-5-2)20(22(26)27)18(24)13-17/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
InChIKey QXDIHIOKSGGXLD-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XGSwhvqd4U
Name Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-6-propyl-
CAS Registry Number 491-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-4-6-7-9-15-10-16(29-3)12-19(25)21(15)23(28)30-17-11-14(8-5-2)20(22(26)27)18(24)13-17/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
InChIKey QXDIHIOKSGGXLD-UHFFFAOYSA-N
Molecular Weight 416.470 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCC)OC(c1c(cc(cc1CCCCC)OC)O)=O
SPLASH splash10-00bc-5910000000-6e5e06eade13d30bfa4c
Source of Spectrum B-27-1778-12
Synonyms .beta.-resorcylic acid, 6-propyl-, 4-(2-hydroxy-6-pentyl-p-anisate) 2-Hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-6-propylbenzoic acid Imbricaric acid
Wiley ID 1376351