| SpectraBase Spectrum ID |
9srWfRDvxHz |
| Name |
Clemizole-M (di-HO-) artifact 2AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
358.072034667 u |
| Formula |
C18H15ClN2O4 |
| InChI |
InChI=1S/C18H15ClN2O4/c1-11(22)24-17-7-15-16(8-18(17)25-12(2)23)21(10-20-15)9-13-3-5-14(19)6-4-13/h3-8,10H,9H2,1-2H3 |
| InChIKey |
GHLVBJNHFVTZTM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
358.781 g/mol |
| SMILES |
CC(Oc1cc2[n](cnc2cc1OC(=O)C)Cc1ccc(cc1)Cl)=O |
| SPLASH |
splash10-00ba-1982000000-51b9144ca06c0589e4e2 |
| 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_5652 |
