| SpectraBase Spectrum ID |
4dmGS9q5E3o |
| Name |
Acenocoumarol-M 3ET |
| Classification |
Anticoagulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
409.225308478 u |
| Formula |
C25H31NO4 |
| InChI |
InChI=1S/C25H31NO4/c1-5-26(6-2)19-14-12-18(13-15-19)21(16-17(4)27)23-24(29-7-3)20-10-8-9-11-22(20)30-25(23)28/h8-15,17,21,27H,5-7,16H2,1-4H3 |
| InChIKey |
VTOXMNHLGAJYIU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
409.526 g/mol |
| SMILES |
C1(=C(c2ccccc2OC1=O)OCC)C(c1ccc(N(CC)CC)cc1)CC(O)C |
| SPLASH |
splash10-0zfr-0019200000-acee72d84be89a3c7353 |
| 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 |
| Synonyms |
Acenocoumarol-M (amino-dihydro-) 3ET |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4786 |
