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3-Chloro-5-[(2E,6E)-7-(5,5-dimethyl-4-oxo-tetrahydro-furan-2-yl)-3-methyl-octa-2,6-dienyl]-4,6-dimethoxy-2-methyl-benzoic acid methyl ester
SpectraBase Compound ID 8tq6DgQzrx8
InChI InChI=1S/C26H35ClO6/c1-15(10-9-11-16(2)19-14-20(28)26(4,5)33-19)12-13-18-23(30-6)21(25(29)32-8)17(3)22(27)24(18)31-7/h11-12,19H,9-10,13-14H2,1-8H3/b15-12+,16-11+
InChIKey KDOYCZPKAQARND-KSELWQEASA-N
Mol Weight 479.0 g/mol
Molecular Formula C26H35ClO6
Exact Mass 478.212217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ymboytQP8V
Name 3-Chloro-5-[(2E,6E)-7-(5,5-dimethyl-4-oxo-tetrahydro-furan-2-yl)-3-methyl-octa-2,6-dienyl]-4,6-dimethoxy-2-methyl-benzoic acid methyl ester
Alternate Name(s) Methyl 3-Chloro-4,6-dimethoxy-2-methyl-5-[(E,E-3-methyl-7-(tetrahydro-5,5-dimethyl-4-oxofuran-2-yl)octa-2,6-dienyl]benzoate Methyl 3-chloro-5-[(2E,6E)-7-(5,5-dimethyl-4-oxotetrahydro-2-furanyl)-3-methyl-2,6-octadienyl]-4,6-dimethoxy-2-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35ClO6
InChI InChI=1S/C26H35ClO6/c1-15(10-9-11-16(2)19-14-20(28)26(4,5)33-19)12-13-18-23(30-6)21(25(29)32-8)17(3)22(27)24(18)31-7/h11-12,19H,9-10,13-14H2,1-8H3/b15-12+,16-11+
InChIKey KDOYCZPKAQARND-KSELWQEASA-N
Molecular Weight 479.013 g/mol
SMILES c1(c(c(C\C=C\(CC\C=C\(C2OC(C)(C)C(C2)=O)C)C)c(c(c1C)Cl)OC)OC)C(=O)OC
SPLASH splash10-004i-0290100000-4dd34f47b1f8745d7ac1
Source of Spectrum AJ-68-2731-19
Wiley ID 773362