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Warfarin AC
SpectraBase Compound ID IWe07lz1TRU
InChI InChI=1S/C21H18O5/c1-13(22)12-17(15-8-4-3-5-9-15)19-20(25-14(2)23)16-10-6-7-11-18(16)26-21(19)24/h3-11,17H,12H2,1-2H3
InChIKey AZJMOTKZYSVMRV-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C21H18O5
Exact Mass 350.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7D1pndqdE9t
Name Warfarin AC @
Classification Anticoagulant Rodenticide
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 350.115423675 u
Formula C21H18O5
InChI InChI=1S/C21H18O5/c1-13(22)12-17(15-8-4-3-5-9-15)19-20(25-14(2)23)16-10-6-7-11-18(16)26-21(19)24/h3-11,17H,12H2,1-2H3
InChIKey AZJMOTKZYSVMRV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 350.370 g/mol
SMILES C1(=C(c2c(cccc2)OC1=O)OC(=O)C)C(CC(=O)C)c1ccccc1
SPLASH splash10-014i-1491000000-308366d87e3c5169d8be
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_4837