| SpectraBase Spectrum ID |
33cG0maLaK |
| Name |
Warfarin-M (di-HO-) 3ET |
| Classification |
Anticoagulant
Rodenticide |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
424.188588616 u |
| Formula |
C25H28O6 |
| InChI |
InChI=1S/C25H28O6/c1-5-28-18-10-8-17(9-11-18)20(14-16(4)26)23-24(30-7-3)21-15-19(29-6-2)12-13-22(21)31-25(23)27/h8-13,15,20H,5-7,14H2,1-4H3 |
| InChIKey |
TYJGKKMXPHZGCZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
424.493 g/mol |
| SMILES |
C1(=C(c2c(ccc(c2)OCC)OC1=O)OCC)C(c1ccc(cc1)OCC)CC(=O)C |
| SPLASH |
splash10-001i-0539200000-e2740365b97c2f083992 |
| 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_4835 |
