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Aloe-emodin -2H
SpectraBase Compound ID GapEBvUYEBS
InChI InChI=1S/C15H8O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-6,17-18H
InChIKey NJCKPHTYGRPUNK-UHFFFAOYSA-N
Mol Weight 268.22 g/mol
Molecular Formula C15H8O5
Exact Mass 268.037173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iz8yhair1BN
Name Aloe-emodin -2H
Classification Laxative
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Exact Mass 268.037173353 u
Formula C15H8O5
InChI InChI=1S/C15H8O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-6,17-18H
InChIKey NJCKPHTYGRPUNK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 268.224 g/mol
SMILES c1c(O)c2c(cc1)C(c1c(c(cc(c1)C=O)O)C2=O)=O
SPLASH splash10-014i-3490000000-064695de7e440baf2496
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3553