| SpectraBase Spectrum ID |
2NZhgrezjM |
| Name |
Phenprocoumon |
| CAS Registry Number |
435-97-2 |
| Classification |
Anticoagulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
280.109944372 u |
| Formula |
C18H16O3 |
| InChI |
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3 |
| InChIKey |
DQDAYGNAKTZFIW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
280.323 g/mol |
| SMILES |
c12ccccc2OC(C(=C1O)C(CC)c1ccccc1)=O |
| SPLASH |
splash10-0udi-5980000000-26e3d88dc39c6e9aad4a |
| 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: G P U |
| 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_859 |
