| SpectraBase Spectrum ID |
IBBNEjF0d3k |
| Name |
Clemizole-M (HO-deamino-HO-) 2AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
372.087684731 u |
| Formula |
C19H17ClN2O4 |
| InChI |
InChI=1S/C19H17ClN2O4/c1-12(23)25-11-19-21-17-8-7-16(26-13(2)24)9-18(17)22(19)10-14-3-5-15(20)6-4-14/h3-9H,10-11H2,1-2H3 |
| InChIKey |
UQXYKYBFQSXJNO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
372.808 g/mol |
| SMILES |
CC(OCc1[n](c2c(ccc(c2)OC(=O)C)n1)Cc1ccc(cc1)Cl)=O |
| SPLASH |
splash10-003i-1698000000-1ffad18153fca734ada3 |
| 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_5654 |
