| SpectraBase Spectrum ID |
8PedSxtg0jY |
| Name |
Cetirizine-M (amino-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 |
317.081871076 u |
| Formula |
C17H16ClNO3 |
| InChI |
InChI=1S/C17H16ClNO3/c1-11(20)19-17(13-3-7-15(18)8-4-13)14-5-9-16(10-6-14)22-12(2)21/h3-10,17H,1-2H3,(H,19,20) |
| InChIKey |
GCNVNEMUXDTRED-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.772 g/mol |
| SMILES |
C(NC(=O)C)(c1ccc(OC(=O)C)cc1)c1ccc(Cl)cc1 |
| SPLASH |
splash10-00yi-1961000000-45db2d3c97b3ce219e4c |
| 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: UGLUCAC |
| 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_4325 |
