| SpectraBase Spectrum ID |
KrJ1vRRgWq1 |
| Name |
Warfarin-M (di-HO-) 3ME @ |
| Classification |
Anticoagulant
Rodenticide |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
382.141638422 u |
| Formula |
C22H22O6 |
| InChI |
InChI=1S/C22H22O6/c1-22(26-4)12-27-20-16-11-15(25-3)9-10-17(16)28-21(23)18(20)19(22)13-5-7-14(24-2)8-6-13/h5-11,19H,12H2,1-4H3 |
| InChIKey |
MPSOXIIEUALABL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
382.412 g/mol |
| SMILES |
C12=C(c3c(ccc(c3)OC)OC1=O)OCC(C2c1ccc(OC)cc1)(OC)C |
| SPLASH |
splash10-0019-3869000000-59633e3896a875ebf344 |
| 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-di-HO-) artifact 3ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4830 |
