| SpectraBase Spectrum ID |
KFIyq2Z1AFP |
| Name |
Phenprocoumon-M (HO-) isomer-3 2ET |
| Classification |
Anticoagulant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
352.167459249 u |
| Formula |
C22H24O4 |
| InChI |
InChI=1S/C22H24O4/c1-4-17(15-10-8-7-9-11-15)20-21(25-6-3)18-14-16(24-5-2)12-13-19(18)26-22(20)23/h7-14,17H,4-6H2,1-3H3 |
| InChIKey |
YICNSFLWXLIOMY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
352.430 g/mol |
| SMILES |
C1(=C(c2cc(OCC)ccc2OC1=O)OCC)C(c1ccccc1)CC |
| SPLASH |
splash10-0fka-0498000000-14d99b5cde542f12f5fb |
| 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_4820 |
