| SpectraBase Spectrum ID |
CzCYCdxmm2N |
| Name |
Coumatetralyl-M isomer-3 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 |
366.146723803 u |
| Formula |
C22H22O5 |
| InChI |
InChI=1S/C22H22O5/c1-24-14-7-9-16-13(11-14)5-4-6-17(16)20-21(26-3)18-12-15(25-2)8-10-19(18)27-22(20)23/h7-12,17H,4-6H2,1-3H3 |
| InChIKey |
FFAIBSNIKRYRFN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
366.413 g/mol |
| SMILES |
C1(=C(c2cc(OC)ccc2OC1=O)OC)C1c2c(cc(cc2)OC)CCC1 |
| SPLASH |
splash10-0ldi-3944000000-48009cea3b6c7a2578b6 |
| 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 |
Coumatetralyl-M (di-HO-) isomer-3 3ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4794 |
