| SpectraBase Spectrum ID |
5LNdbhQ20FY |
| Name |
Acenocoumarol ET |
| Classification |
Anticoagulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
381.121237330 u |
| Formula |
C21H19NO6 |
| InChI |
InChI=1S/C21H19NO6/c1-3-27-20-16-6-4-5-7-18(16)28-21(24)19(20)17(12-13(2)23)14-8-10-15(11-9-14)22(25)26/h4-11,17H,3,12H2,1-2H3 |
| InChIKey |
XOBOEJIGKYBCPF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
381.384 g/mol |
| SMILES |
C1(=C(c2ccccc2OC1=O)OCC)C(c1ccc(N(=O)=O)cc1)CC(=O)C |
| SPLASH |
splash10-01p9-4639000000-910c6f2459009a27b92f |
| 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_4781 |
