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NIGERAPYRONE_C
SpectraBase Compound ID 4qZ9OeaOd8h
InChI InChI=1S/C13H14O4/c1-9(6-10(2)14)4-5-11-7-12(16-3)8-13(15)17-11/h4-8H,1-3H3/b5-4+,9-6+
InChIKey LGJCELWOOPXKFE-HSKKLARCSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ojfN9sP3ds
Name Nigerapyrone C
Appearance Yellowish, amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-9(6-10(2)14)4-5-11-7-12(16-3)8-13(15)17-11/h4-8H,1-3H3/b5-4+,9-6+
InChIKey LGJCELWOOPXKFE-HSKKLARCSA-N
Instrument Name VG Autospec 3000
Ionization Type EI
Literature Reference DOI 10.1021/np200381u
Molecular Weight 234.251 g/mol
Reported Formula C13H14O4
SMILES C=1(OC(C=C(C1)OC)=O)\C=C\C(=C\C(C)=O)C
SPLASH splash10-0a7i-0930000000-0b48dcca2c61c7a2c064
Source of Spectrum G4-74-1791-3
Wiley ID 1849203