| SpectraBase Spectrum ID |
Hk9TSC0KAfr |
| Name |
Warfarin-M (HO-) isomer-1 2ET @ |
| Classification |
Anticoagulant
Rodenticide |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
380.162373868 u |
| Formula |
C23H24O5 |
| InChI |
InChI=1S/C23H24O5/c1-4-26-17-11-12-20-19(14-17)22(27-5-2)21(23(25)28-20)18(13-15(3)24)16-9-7-6-8-10-16/h6-12,14,18H,4-5,13H2,1-3H3 |
| InChIKey |
KEKRTJPZIOQBHS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
380.440 g/mol |
| SMILES |
C1(=C(c2c(ccc(c2)OCC)OC1=O)OCC)C(CC(=O)C)c1ccccc1 |
| SPLASH |
splash10-052r-0329000000-23b09be903b0b503584e |
| 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 |
| Synonyms |
Pyranocoumarin-M (O-demethyl-HO-) isomer-1 artifact 2ET |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4832 |
