| SpectraBase Spectrum ID |
BFqDx4LoXhH |
| Name |
Clemizole-M (HO-) artifact-1 AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
300.066555365 u |
| Formula |
C16H13ClN2O2 |
| InChI |
InChI=1S/C16H13ClN2O2/c1-11(20)21-14-6-7-15-16(8-14)19(10-18-15)9-12-2-4-13(17)5-3-12/h2-8,10H,9H2,1H3 |
| InChIKey |
HJCMVMRYYQUBTM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
300.745 g/mol |
| SMILES |
CC(Oc1cc2[n](cnc2cc1)Cc1ccc(cc1)Cl)=O |
| SPLASH |
splash10-0a6r-3981000000-d52d9d430571cc7c9a93 |
| 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_5651 |
