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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 8INVkwPqK00
Name Coumachlor AC
Classification Rodenticide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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
Nominal Mass 384 u
Quality 921
Retention Index 2802
SMILES C1(=C(C=2C(OC1=O)=CC=CC2)OC(=O)C)C(C1=CC=C(C=C1)Cl)CC(=O)C
SPLASH splash10-0f6w-0789000000-8e6b640d0b426d3bbd91
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(1-(4-chlorophenyl)-3-oxobutyl)-2-oxo-2H-chromen-4-yl acetate
Technique GC/MS
Wiley ID DD2024_000810