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Tris(acetoxy)-pessoine
SpectraBase Compound ID EwcfPnJ2ipB
InChI InChI=1S/C24H25NO7/c1-13(26)30-22-9-17-7-20-19-11-24(32-15(3)28)21(29-4)8-16(19)5-6-25(20)12-18(17)10-23(22)31-14(2)27/h8-11,20H,5-7,12H2,1-4H3
InChIKey XHNBNTHTJCONNA-UHFFFAOYSA-N
Mol Weight 439.46 g/mol
Molecular Formula C24H25NO7
Exact Mass 439.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3odxnVe6opk
Name Tris(acetoxy)-pessoine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO7
InChI InChI=1S/C24H25NO7/c1-13(26)30-22-9-17-7-20-19-11-24(32-15(3)28)21(29-4)8-16(19)5-6-25(20)12-18(17)10-23(22)31-14(2)27/h8-11,20H,5-7,12H2,1-4H3
InChIKey XHNBNTHTJCONNA-UHFFFAOYSA-N
Molecular Weight 439.464 g/mol
SMILES C12N(CCc3cc(c(cc23)OC(=O)C)OC)Cc2c(C1)cc(c(c2)OC(=O)C)OC(=O)C
SPLASH splash10-000f-7050900000-a131a092eca8e1d6b556
Source of Spectrum G4-59-440-1
Wiley ID 1606264