| SpectraBase Spectrum ID |
24zmCUCtJA |
| Name |
Coumachlor-M (di-HO-) 3ME @ |
| Classification |
Anticoagulant
Rodenticide |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
416.102666090 u |
| Formula |
C22H21ClO6 |
| InChI |
InChI=1S/C22H21ClO6/c1-12(24)9-15(13-5-7-14(23)8-6-13)20-21(28-4)16-10-18(26-2)19(27-3)11-17(16)29-22(20)25/h5-8,10-11,15H,9H2,1-4H3 |
| InChIKey |
HEGSIZQTYWDISW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.857 g/mol |
| SMILES |
C1(=C(c2cc(OC)c(cc2OC1=O)OC)OC)C(c1ccc(Cl)cc1)CC(=O)C |
| SPLASH |
splash10-00di-4319200000-8adcc53e07ad3e21f5c1 |
| 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: UME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Coumachlor-M (HO-methoxy-) 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4425 |
