| SpectraBase Spectrum ID |
3te2iy8qfOy |
| Name |
Phenprocoumon-M (di-HO-) 3ET |
| Classification |
Anticoagulant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.193673997 u |
| Formula |
C24H28O5 |
| InChI |
InChI=1S/C24H28O5/c1-5-19(16-9-11-17(12-10-16)26-6-2)22-23(28-8-4)20-15-18(27-7-3)13-14-21(20)29-24(22)25/h9-15,19H,5-8H2,1-4H3 |
| InChIKey |
XRIJJLHXNGBCTI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.483 g/mol |
| SMILES |
C1(=C(c2cc(OCC)ccc2OC1=O)OCC)C(c1ccc(OCC)cc1)CC |
| SPLASH |
splash10-0uk9-1349000000-fccc85037023397599c0 |
| 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_4821 |
