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Coumachlor ET
SpectraBase Compound ID 3RdtHcb8ZrI
InChI InChI=1S/C21H19ClO4/c1-3-25-20-16-6-4-5-7-18(16)26-21(24)19(20)17(12-13(2)23)14-8-10-15(22)11-9-14/h4-11,17H,3,12H2,1-2H3
InChIKey MKVZFZXDBUOOCM-UHFFFAOYSA-N
Mol Weight 370.83 g/mol
Molecular Formula C21H19ClO4
Exact Mass 370.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DjjuIQ1FKw
Name Coumachlor ET
Classification Anticoagulant Rodenticide
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 370.097186788 u
Formula C21H19ClO4
InChI InChI=1S/C21H19ClO4/c1-3-25-20-16-6-4-5-7-18(16)26-21(24)19(20)17(12-13(2)23)14-8-10-15(22)11-9-14/h4-11,17H,3,12H2,1-2H3
InChIKey MKVZFZXDBUOOCM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 370.832 g/mol
SMILES C1(=C(c2ccccc2OC1=O)OCC)C(c1ccc(cc1)Cl)CC(=O)C
SPLASH splash10-004s-4879000000-723fddeaa2808086ccc3
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_4812