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Coumachlor-M (HO-) isomer-2 2ET
SpectraBase Compound ID 4oAz8C5xRJQ
InChI InChI=1S/C23H23ClO5/c1-4-27-17-10-11-18-20(13-17)29-23(26)21(22(18)28-5-2)19(12-14(3)25)15-6-8-16(24)9-7-15/h6-11,13,19H,4-5,12H2,1-3H3
InChIKey RWKZGNJBXXHLJF-UHFFFAOYSA-N
Mol Weight 414.89 g/mol
Molecular Formula C23H23ClO5
Exact Mass 414.123402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuwZZit4y
Name Coumachlor-M (HO-) isomer-2 2ET
Classification Anticoagulant Rodenticide
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 414.123401536 u
Formula C23H23ClO5
InChI InChI=1S/C23H23ClO5/c1-4-27-17-10-11-18-20(13-17)29-23(26)21(22(18)28-5-2)19(12-14(3)25)15-6-8-16(24)9-7-15/h6-11,13,19H,4-5,12H2,1-3H3
InChIKey RWKZGNJBXXHLJF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 414.885 g/mol
SMILES C1(=C(c2ccc(cc2OC1=O)OCC)OCC)C(c1ccc(cc1)Cl)CC(=O)C
SPLASH splash10-00di-0329100000-10ca344bfb0ce00a2b66
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.
Sample Preparation Procedure Detected: UET
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_4814