| SpectraBase Spectrum ID |
3VaTH3iaZ6 |
| Name |
Warfarin-M isomer-3 -H2O 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/c1-4-7-16(14-10-12-15(23-2)13-11-14)19-20(24-3)17-8-5-6-9-18(17)25-21(19)22/h4-13,16H,1-3H3/b7-4+ |
| InChIKey |
WMNOCMIJDCIWKQ-QPJJXVBHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
336.387 g/mol |
| SMILES |
C1(=C(c2c(cccc2)OC1=O)OC)C(c1ccc(OC)cc1)\C=C\C |
| SPLASH |
splash10-0006-2590000000-05e544b4db8edf2549bb |
| 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 (demethyl-HO-dihydro-) isomer-3 -H2O 2ME
Warfarin-M (HO-dihydro-) isomer-3 -H2O 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4829 |
