| SpectraBase Spectrum ID |
4uGq020iPY |
| Name |
Phenprocoumon-M isomer-3 2ME |
| Classification |
Anticoagulant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
324.136159120 u |
| Formula |
C20H20O4 |
| InChI |
InChI=1S/C20H20O4/c1-4-15(13-8-6-5-7-9-13)18-19(23-3)16-11-10-14(22-2)12-17(16)24-20(18)21/h5-12,15H,4H2,1-3H3 |
| InChIKey |
CHHCVVOECWKZOA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
324.376 g/mol |
| SMILES |
c12c(ccc(c2)OC)C(=C(C(O1)=O)C(c1ccccc1)CC)OC |
| SPLASH |
splash10-0002-1292000000-8cb490eb05674530d817 |
| 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 UHYME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Phenprocoumon-M (HO-) isomer-3 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4419 |
