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YDNWVTUIFJBROE-CYXONCDGSA-N
SpectraBase Compound ID 8mObj5bhIML
InChI InChI=1S/C21H22O3/c1-15(12-16(2)13-18-8-6-5-7-9-18)10-11-19-14-20(23-4)17(3)21(22)24-19/h5-14H,1-4H3/b11-10+,15-12+,16-13+
InChIKey YDNWVTUIFJBROE-CYXONCDGSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L565TKuxsdQ
Name Asnipyrone B
Appearance Yellow amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-15(12-16(2)13-18-8-6-5-7-9-18)10-11-19-14-20(23-4)17(3)21(22)24-19/h5-14H,1-4H3/b11-10+,15-12+,16-13+
InChIKey YDNWVTUIFJBROE-CYXONCDGSA-N
Instrument Name VG Autospec 3000
Ionization Type EI
Literature Reference DOI 10.1021/np200381u
Molecular Weight 322.404 g/mol
Reported Formula C21H22O3
SMILES C=1(OC(C(=C(C1)OC)C)=O)\C=C\C(C)=C\C(C)=C\c1ccccc1
SPLASH splash10-000i-0921000000-a311e2e3f27c56b38a4d
Source of Spectrum G4-74-SM5-7
Wiley ID 1849208