| SpectraBase Spectrum ID |
3vhbhHX0awP |
| Name |
Warfarin-M (HO-) isomer-2 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/c1-13(22)12-17(14-8-10-15(24-2)11-9-14)19-20(25-3)16-6-4-5-7-18(16)26-21(19)23/h4-11,17H,12H2,1-3H3 |
| InChIKey |
OLTOIRMNJLVVHF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
352.386 g/mol |
| SMILES |
C1(=C(c2c(cccc2)OC1=O)OC)C(c1ccc(cc1)OC)CC(=O)C |
| SPLASH |
splash10-0pi0-2967000000-931a12e7096242ab8fbe |
| 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 |
Pyranocoumarin-M (O-demethyl-HO-) isomer-2 artifact 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4825 |
