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Benzoic acid, 3-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propyl-
SpectraBase Compound ID GdBBQ4KV1BR
InChI InChI=1S/C23H28O8/c1-6-8-13-10-15(28-3)12-16(29-4)18(13)23(27)31-21-17(30-5)11-14(9-7-2)19(20(21)24)22(25)26/h10-12,24H,6-9H2,1-5H3,(H,25,26)
InChIKey FVJZICDDDAWZPV-UHFFFAOYSA-N
Mol Weight 432.47 g/mol
Molecular Formula C23H28O8
Exact Mass 432.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hS7Fey8KGg
Name Benzoic acid, 3-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propyl-
Alternate Name(s) 2-O-methylsekikaic acid 3-(2',4'-Dimethoxy-6'-propylbenzoyloxy)-2-hydroxy-4-methoxy-6-propylbenoic acid 3-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propylbenzoic acid
CAS Registry Number 69563-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O8
InChI InChI=1S/C23H28O8/c1-6-8-13-10-15(28-3)12-16(29-4)18(13)23(27)31-21-17(30-5)11-14(9-7-2)19(20(21)24)22(25)26/h10-12,24H,6-9H2,1-5H3,(H,25,26)
InChIKey FVJZICDDDAWZPV-UHFFFAOYSA-N
Molecular Weight 432.469 g/mol
SMILES Oc1c(C(=O)O)c(cc(c1OC(c1c(cc(cc1CCC)OC)OC)=O)OC)CCC
SPLASH splash10-0a4i-2090000000-cd9b529592ea5298106d
Source of Spectrum B-31-2748-0
Wiley ID 1382226