| SpectraBase Spectrum ID |
E6gYdhZsuPZ |
| Name |
Clemizole-M (HO-oxo-) AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
397.119319213 u |
| Formula |
C21H20ClN3O3 |
| InChI |
InChI=1S/C21H20ClN3O3/c1-14(26)28-16-8-9-18-19(11-16)25(12-15-5-2-3-6-17(15)22)20(23-18)13-24-10-4-7-21(24)27/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3 |
| InChIKey |
QVXLQEOJGUDRQC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
397.862 g/mol |
| SMILES |
CC(Oc1ccc2c([n](c(CN3C(=O)CCC3)n2)Cc2ccccc2Cl)c1)=O |
| SPLASH |
splash10-009t-2696000000-d5fdfeb13f8323aa42d3 |
| 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: UHYAC |
| 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_2860 |
