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Trisalicylide
SpectraBase Compound ID C6ROoJFekVF
InChI InChI=1S/C21H12O6/c22-19-13-7-1-4-10-16(13)25-20(23)15-9-3-6-12-18(15)27-21(24)14-8-2-5-11-17(14)26-19/h1-12H
InChIKey KYLIMUJRJDIPPF-UHFFFAOYSA-N
Mol Weight 360.32 g/mol
Molecular Formula C21H12O6
Exact Mass 360.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14G0Td4Siu
Name Trisalicyclide @
Classification Analgesic Dermatic
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Exact Mass 360.063388100 u
Formula C21H12O6
InChI InChI=1S/C21H12O6/c22-19-13-7-1-4-10-16(13)25-20(23)15-9-3-6-12-18(15)27-21(24)14-8-2-5-11-17(14)26-19/h1-12H
InChIKey KYLIMUJRJDIPPF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 360.321 g/mol
SMILES c1ccc2c(c1)C(Oc1ccccc1C(Oc1c(cccc1)C(=O)O2)=O)=O
SPLASH splash10-022c-9520000000-8b244eafc958bf360f7d
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.
Sample Preparation Procedure Detected: G U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Acetylsalicylic acid-M (deacetyl-) artifact (trimer) Salicylic acid artifact (trimer)
Technique GC/MS
Wiley ID MMPW6e_4496