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Physcion
SpectraBase Compound ID Co514gQW2s3
InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
InChIKey FFWOKTFYGVYKIR-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C16H12O5
Exact Mass 284.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYvbag6KPvm
Name Physcion
CAS Registry Number 521-61-9
Classification Laxative
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 284.068473481 u
Formula C16H12O5
InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
InChIKey FFWOKTFYGVYKIR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.267 g/mol
SMILES c1c(cc2c(C(=O)c3c(cc(cc3O)C)C2=O)c1O)OC
SPLASH splash10-001i-3490000000-5de5e480a857ef0e6b61
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_3556