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NIGERAPYRONE_D
SpectraBase Compound ID 2rkjQdtTQyt
InChI InChI=1S/C14H16O4/c1-9(7-10(2)15)5-6-12-8-13(17-4)11(3)14(16)18-12/h5-8H,1-4H3/b6-5+,9-7+
InChIKey QNRKTRKCMAQCAK-SBIWHPGTSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6z289u5psL9
Name Nigerapyrone D
Appearance Yellowish, amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-9(7-10(2)15)5-6-12-8-13(17-4)11(3)14(16)18-12/h5-8H,1-4H3/b6-5+,9-7+
InChIKey QNRKTRKCMAQCAK-SBIWHPGTSA-N
Instrument Name VG Autospec 3000
Ionization Type EI
Literature Reference DOI 10.1021/np200381u
Molecular Weight 248.278 g/mol
Reported Formula C14H16O4
SMILES C=1(OC(C(=C(C1)OC)C)=O)\C=C\C(=C\C(C)=O)C
SPLASH splash10-0a4j-0890000000-65b2196e8d0554424fa1
Source of Spectrum G4-74-1791-4
Wiley ID 1849204