| SpectraBase Spectrum ID |
1R2nFWiCaO |
| Name |
Coumatetralyl-M (HO-) isomer-3 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 |
336.136159120 u |
| Formula |
C21H20O4 |
| InChI |
InChI=1S/C21H20O4/c1-23-14-10-11-15-13(12-14)6-5-8-16(15)19-20(24-2)17-7-3-4-9-18(17)25-21(19)22/h3-4,7,9-12,16H,5-6,8H2,1-2H3 |
| InChIKey |
SZTLTYZOYIUSRF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
336.387 g/mol |
| SMILES |
C1(=C(c2ccccc2OC1=O)OC)C1c2c(cc(cc2)OC)CCC1 |
| SPLASH |
splash10-00di-2935000000-d2c81c01d3d88975e179 |
| 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_4793 |
