| SpectraBase Spectrum ID |
E69WmeWCCON |
| Name |
Coumachlor-M (HO-dihydro-) 2ME |
| Classification |
Anticoagulant
Rodenticide |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
388.107751471 u |
| Formula |
C21H21ClO5 |
| InChI |
InChI=1S/C21H21ClO5/c1-12(23)10-16(13-4-6-14(22)7-5-13)19-20(26-3)17-11-15(25-2)8-9-18(17)27-21(19)24/h4-9,11-12,16,23H,10H2,1-3H3 |
| InChIKey |
YXJQODWWSUMJBH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
388.847 g/mol |
| SMILES |
C1(=C(c2cc(OC)ccc2OC1=O)OC)C(c1ccc(cc1)Cl)CC(O)C |
| SPLASH |
splash10-002v-3649000000-1679fcc008cc1e02fac1 |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4426 |
