| SpectraBase Spectrum ID |
8SSg2oB6PtS |
| Name |
Clobenzorex-M (di-HO-) 3AC |
| Classification |
Anorectic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
417.134300572 u |
| Formula |
C22H24ClNO5 |
| InChI |
InChI=1S/C22H24ClNO5/c1-14(24(15(2)25)13-19-7-5-6-8-20(19)23)11-18-9-10-21(28-16(3)26)22(12-18)29-17(4)27/h5-10,12,14H,11,13H2,1-4H3 |
| InChIKey |
CMHWDHGOVYTTAP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
417.889 g/mol |
| SMILES |
c1cc(c(CN(C(=O)C)C(Cc2cc(c(OC(=O)C)cc2)OC(=O)C)C)cc1)Cl |
| SPLASH |
splash10-016r-2941000000-69689e26cbe3d9a8e018 |
| 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_4415 |
