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3'-O-Methylorobol
SpectraBase Compound ID 1qMxCcDoOXu
InChI InChI=1S/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
InChIKey ZMFBGWWGXBNJAC-UHFFFAOYSA-N
Mol Weight 300.27 g/mol
Molecular Formula C16H12O6
Exact Mass 300.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBsNd24qGmc
Name 3'-O-Methylorobol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O6
InChI InChI=1S/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
InChIKey ZMFBGWWGXBNJAC-UHFFFAOYSA-N
Instrument Name JEOL JMS-AM II 50
Ionization Type EI
Literature Reference DOI 10.1021/np000406p
Molecular Weight 300.266 g/mol
SMILES Oc1cc(c2c(c1)OC=C(C2=O)c1cc(c(cc1)O)OC)O
SPLASH splash10-0udi-0946000000-cbd85668e99807db5869
Source of Spectrum G4-64-SM18-21
Wiley ID 1882822