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1,4',6'-O,O',O"-Triacetylfoeniculoxin
SpectraBase Compound ID EnnssqJ4rWb
InChI InChI=1S/C22H26O7/c1-14(8-12-21(22(5,6)26)29-17(4)25)7-9-18-13-19(27-15(2)23)10-11-20(18)28-16(3)24/h10-11,13,21,26H,1,8,12H2,2-6H3
InChIKey MFBUCJPJUWHWGF-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOBwBDhN1dL
Name 1,4',6'-O,O',O"-Triacetylfoeniculoxin
Alternate Name(s) 1,4',6'-O,O',O''-Triacetylfoeniculoxin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-14(8-12-21(22(5,6)26)29-17(4)25)7-9-18-13-19(27-15(2)23)10-11-20(18)28-16(3)24/h10-11,13,21,26H,1,8,12H2,2-6H3
InChIKey MFBUCJPJUWHWGF-UHFFFAOYSA-N
Molecular Weight 402.443 g/mol
SMILES OC(C(OC(=O)C)CCC(C#Cc1c(OC(=O)C)ccc(OC(=O)C)c1)=C)(C)C
SPLASH splash10-0f6x-0193000000-df792f702f1061061723
Source of Spectrum F-50-10375-2
Wiley ID 789226