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6-[(2'E)-3',7'-dimethyl-5'-oxo-2',6'-octadienyl]-7-acetoxy-5-methoxyphthalide
SpectraBase Compound ID 6y5tMWohXBD
InChI InChI=1S/C21H24O6/c1-12(2)8-16(23)9-13(3)6-7-17-18(25-5)10-15-11-26-21(24)19(15)20(17)27-14(4)22/h6,8,10H,7,9,11H2,1-5H3/b13-6+
InChIKey FFNANYRECDAUKT-AWNIVKPZSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4b6DcuF6Ng0
Name 6-[(2'E)-3',7'-dimethyl-5'-oxo-2',6'-octadienyl]-7-acetoxy-5-methoxyphthalide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-12(2)8-16(23)9-13(3)6-7-17-18(25-5)10-15-11-26-21(24)19(15)20(17)27-14(4)22/h6,8,10H,7,9,11H2,1-5H3/b13-6+
InChIKey FFNANYRECDAUKT-AWNIVKPZSA-N
Molecular Weight 372.417 g/mol
SMILES c12c(c(C\C=C\(CC(C=C(C)C)=O)C)c(cc2COC1=O)OC)OC(=O)C
SPLASH splash10-001i-9001000000-3845d47f7c163036515d
Source of Spectrum AT-31-376-2
Synonyms 5-[(2E)-3,7-dimethyl-5-oxo-2,6-octadienyl]-6-methoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl acetate
Wiley ID 835732