| SpectraBase Spectrum ID |
JjR14SaKiPT |
| Name |
Coumatetralyl-M (HO-) isomer-1 ET |
| 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/c1-2-24-20-16-9-5-6-10-18(16)25-21(23)19(20)17-12-14(22)11-13-7-3-4-8-15(13)17/h3-10,14,17,22H,2,11-12H2,1H3 |
| InChIKey |
OPGJAFFOVXGXHE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
336.387 g/mol |
| SMILES |
C1(=C(c2ccccc2OC1=O)OCC)C1c2c(CC(C1)O)cccc2 |
| SPLASH |
splash10-014r-4972000000-286757224fd7b9d7976e |
| 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_4802 |
