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Coumachlor AC
SpectraBase Compound ID 21qhMPOVnkD
InChI InChI=1S/C21H17ClO5/c1-12(23)11-17(14-7-9-15(22)10-8-14)19-20(26-13(2)24)16-5-3-4-6-18(16)27-21(19)25/h3-10,17H,11H2,1-2H3
InChIKey XBWIPUILWRHBHW-UHFFFAOYSA-N
Mol Weight 384.82 g/mol
Molecular Formula C21H17ClO5
Exact Mass 384.076451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Nf6yoEJdI
Name Coumachlor isomer-1 AC
Classification Anticoagulant Rodenticide
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Exact Mass 384.076451342 u
Formula C21H17ClO5
InChI InChI=1S/C21H17ClO5/c1-12(23)11-17(14-7-9-15(22)10-8-14)19-20(26-13(2)24)16-5-3-4-6-18(16)27-21(19)25/h3-10,17H,11H2,1-2H3
InChIKey XBWIPUILWRHBHW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 384.815 g/mol
Related CAS Registry Number(s) 81-82-3
SMILES C1(=C(c2ccccc2OC1=O)OC(=O)C)C(c1ccc(Cl)cc1)CC(=O)C
SPLASH splash10-0f6w-7967000000-39ef8d5f86c0dbabe04d
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_4816