| SpectraBase Spectrum ID |
KVnDSCqCs5K |
| Name |
Acenocoumarol-M (HO-) isomer-2 2ET |
| Classification |
Anticoagulant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
425.147452078 u |
| Formula |
C23H23NO7 |
| InChI |
InChI=1S/C23H23NO7/c1-4-29-17-10-11-18-20(13-17)31-23(26)21(22(18)30-5-2)19(12-14(3)25)15-6-8-16(9-7-15)24(27)28/h6-11,13,19H,4-5,12H2,1-3H3 |
| InChIKey |
KREJYTSECICGRF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
425.437 g/mol |
| SMILES |
C1(=C(c2ccc(cc2OC1=O)OCC)OCC)C(c1ccc(N(=O)=O)cc1)CC(=O)C |
| SPLASH |
splash10-001i-0229000000-08a40bacdfc6564f23b3 |
| 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_4783 |
