| SpectraBase Spectrum ID |
Fkrp6pe6J46 |
| Name |
Clemizole-M (HO-) artifact-2 AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.082205429 u |
| Formula |
C17H15ClN2O2 |
| InChI |
InChI=1S/C17H15ClN2O2/c1-11-19-16-8-7-15(22-12(2)21)9-17(16)20(11)10-13-3-5-14(18)6-4-13/h3-9,19H,1,10H2,2H3 |
| InChIKey |
BLPSXARMUAIUFP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.772 g/mol |
| SMILES |
CC(Oc1cc2N(C(Nc2cc1)=C)Cc1ccc(cc1)Cl)=O |
| SPLASH |
splash10-03dj-1649000000-0dd276f03f06d9571869 |
| 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_5649 |
