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Frangula-emodin 2ME                  @
SpectraBase Compound ID 9OoH5XIf4Us
InChI InChI=1S/C17H14O5/c1-8-4-10-15(13(5-8)22-3)17(20)14-11(16(10)19)6-9(21-2)7-12(14)18/h4-7,18H,1-3H3
InChIKey UPIWKOZOBCLHSX-UHFFFAOYSA-N
Mol Weight 298.29 g/mol
Molecular Formula C17H14O5
Exact Mass 298.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDeINy48wLm
Name physcion 1-O-methyl ether
Appearance Orange needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.084123546 u
Formula C17H14O5
InChI InChI=1S/C17H14O5/c1-8-4-10-15(13(5-8)22-3)17(20)14-11(16(10)19)6-9(21-2)7-12(14)18/h4-7,18H,1-3H3
InChIKey UPIWKOZOBCLHSX-UHFFFAOYSA-N
Instrument Name VG Micromass 7070F and JEOL JMS-AX505HF
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.712
Quality 67
SMILES OC1=CC(=CC2=C1C(C1=C(C2=O)C=C(C=C1OC)C)=O)OC
SPLASH splash10-0002-0290000000-282b6c56b7e62857283f
Source of Spectrum ARK-2001-152-2 (DOI: 10.3998/ark.5550190.0002.712)
Thin-Layer Chromatography 0.73
Wiley ID 1908843