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NIGERAPYRONE_B
SpectraBase Compound ID BfolnGiP8MM
InChI InChI=1S/C21H20O3/c1-13-10-14(2)20(16-8-6-5-7-9-16)17(11-13)19-12-18(23-4)15(3)21(22)24-19/h5-12H,1-4H3
InChIKey GORRUIALEVAHBX-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZsCW4sy80Y
Name Nigerapyrone B
Appearance Yellowish, amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3
InChI InChI=1S/C21H20O3/c1-13-10-14(2)20(16-8-6-5-7-9-16)17(11-13)19-12-18(23-4)15(3)21(22)24-19/h5-12H,1-4H3
InChIKey GORRUIALEVAHBX-UHFFFAOYSA-N
Instrument Name VG Autospec 3000
Ionization Type EI
Literature Reference DOI 10.1021/np200381u
Molecular Weight 320.388 g/mol
Reported Formula C21H20O3
SMILES c1cccc(c1)-c1c(cc(cc1C)C)C=1OC(C(=C(C1)OC)C)=O
SPLASH splash10-00dj-0095000000-acd2b88b58d8dc27bd99
Source of Spectrum G4-74-1791-2
Wiley ID 1849202