| SpectraBase Spectrum ID |
1SmLzSV0yG |
| Name |
Acenocoumarol-M 3ME |
| Classification |
Anticoagulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
367.178358285 u |
| Formula |
C22H25NO4 |
| InChI |
InChI=1S/C22H25NO4/c1-14(24)13-18(15-9-11-16(12-10-15)23(2)3)20-21(26-4)17-7-5-6-8-19(17)27-22(20)25/h5-12,14,18,24H,13H2,1-4H3 |
| InChIKey |
PEBDFBQUMSTMMU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
367.445 g/mol |
| SMILES |
C1(=C(c2ccccc2OC1=O)OC)C(c1ccc(N(C)C)cc1)CC(O)C |
| SPLASH |
splash10-0a4i-3958000000-74b6d9706768541f2cd6 |
| 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 |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Acenocoumarol-M (amino-dihydro-) 3ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4432 |
