| SpectraBase Spectrum ID |
6gt21fcIUv2 |
| Name |
Phenprocoumon-M (di-HO-) 3ME @ |
| Classification |
Anticoagulant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
354.146723803 u |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-5-16(13-6-8-14(23-2)9-7-13)19-20(25-4)17-12-15(24-3)10-11-18(17)26-21(19)22/h6-12,16H,5H2,1-4H3 |
| InChIKey |
QQNWFWSFCHNFDY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
354.402 g/mol |
| SMILES |
C1(=C(c2cc(OC)ccc2OC1=O)OC)C(c1ccc(cc1)OC)CC |
| SPLASH |
splash10-004i-1229000000-600d32c8e41d1cc0be01 |
| 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 UGLUCME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Phenprocoumon-M (HO-methoxy-) 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4421 |
