| SpectraBase Spectrum ID |
D2PphxfXtbB |
| Name |
Tioclomarole -H2O |
| CAS Registry Number |
22619-35-8 |
| Classification |
Anticoagulant |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
428.004070882 u |
| Formula |
C22H14Cl2O3S |
| InChI |
InChI=1S/C22H14Cl2O3S/c23-14-5-3-4-13(12-14)8-9-16(18-10-11-19(24)28-18)20-21(25)15-6-1-2-7-17(15)27-22(20)26/h1-12,16,25H/b9-8+ |
| InChIKey |
KORKNSLPNNFLLF-CMDGGOBGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
429.317 g/mol |
| SMILES |
c1cccc2OC(=O)C(=C(c12)O)C(\C=C\c1cc(ccc1)Cl)c1sc(cc1)Cl |
| SPLASH |
splash10-0zfr-5965200000-7ef17bf9815da4ce1fa3 |
| 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. |
| 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_6090 |
