| SpectraBase Spectrum ID |
51Rai2t6Mi |
| Name |
Coumatetralyl-M (di-HO-) iso-1 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 |
352.131073739 u |
| Formula |
C21H20O5 |
| InChI |
InChI=1S/C21H20O5/c1-24-14-7-8-18-17(11-14)20(25-2)19(21(23)26-18)16-10-13(22)9-12-5-3-4-6-15(12)16/h3-8,11,13,16,22H,9-10H2,1-2H3 |
| InChIKey |
SIEUJKKOSFLNTM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
352.386 g/mol |
| SMILES |
C1(=C(c2cc(OC)ccc2OC1=O)OC)C1c2c(cccc2)CC(C1)O |
| SPLASH |
splash10-001i-2739000000-0f75f02fd69f9a970192 |
| 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-1 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4798 |
