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Isoderrone
SpectraBase Compound ID 7dU0GcEbxwq
InChI InChI=1S/C20H16O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)14-10-24-17-9-13(21)8-15(22)18(17)19(14)23/h3-10,21-22H,1-2H3
InChIKey WTNXJYOYGPGIJK-UHFFFAOYSA-N
Mol Weight 336.34 g/mol
Molecular Formula C20H16O5
Exact Mass 336.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fGfV07BSzq
Name Isoderrone
Appearance Amorphous yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O5
InChI InChI=1S/C20H16O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)14-10-24-17-9-13(21)8-15(22)18(17)19(14)23/h3-10,21-22H,1-2H3
InChIKey WTNXJYOYGPGIJK-UHFFFAOYSA-N
Instrument Name Finnigan-MAT
Ionization Type EI
Literature Reference DOI 10.1021/np0103867
Molecular Weight 336.343 g/mol
SMILES Oc1c2C(C(=COc2cc(c1)O)c1ccc2c(c1)C=CC(O2)(C)C)=O
SPLASH splash10-000i-0529000000-5e07e5830c929b8f7c85
Source of Spectrum G4-65-SM2-9
Wiley ID 1881044