| SpectraBase Spectrum ID |
2xfq8hwO9I |
| Name |
Acenocoumarol-M isomer-1 2ME |
| Classification |
Anticoagulant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
397.116151949 u |
| Formula |
C21H19NO7 |
| InChI |
InChI=1S/C21H19NO7/c1-12(23)10-16(13-4-6-14(7-5-13)22(25)26)19-20(28-3)17-11-15(27-2)8-9-18(17)29-21(19)24/h4-9,11,16H,10H2,1-3H3 |
| InChIKey |
OXKNBASOIOPGTM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
397.383 g/mol |
| SMILES |
C1(=C(c2cc(OC)ccc2OC1=O)OC)C(c1ccc(N(=O)=O)cc1)CC(=O)C |
| SPLASH |
splash10-0udi-0229000000-a80b0be433df58adcc4a |
| 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 |
Acenocoumarol-M (HO-) isomer-1 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4428 |
