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Rhein
SpectraBase Compound ID LobxxKDPfRv
InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
InChIKey FCDLCPWAQCPTKC-UHFFFAOYSA-N
Mol Weight 284.22 g/mol
Molecular Formula C15H8O6
Exact Mass 284.032088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcgtDeIoWYs
Name Rhein
CAS Registry Number 478-43-3
Classification Laxative
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 284.032087972 u
Formula C15H8O6
InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
InChIKey FCDLCPWAQCPTKC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.223 g/mol
SMILES c1ccc2c(C(=O)c3c(cc(cc3O)C(O)=O)C2=O)c1O
SPLASH splash10-001i-5590000000-d8433a34d6f4b6310416
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_3557