SpectraBase Spectrum ID |
9n0nsqlOQGN |
Name |
Warfarin-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 |
352.131073739 u |
Formula |
C21H20O5 |
InChI |
InChI=1S/C21H20O5/c1-13(22)11-16(14-7-5-4-6-8-14)19-20(25-3)17-12-15(24-2)9-10-18(17)26-21(19)23/h4-10,12,16H,11H2,1-3H3 |
InChIKey |
CVZYPUTVKRVKRL-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
352.386 g/mol |
SMILES |
C1(=C(c2c(ccc(c2)OC)OC1=O)OC)C(CC(=O)C)c1ccccc1 |
SPLASH |
splash10-0a4i-2459000000-1e0f88867a3e7cc47763 |
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-3 artifact 2ME |
Technique |
GC/MS |
Wiley ID |
MMPW6e_4826 |