| SpectraBase Spectrum ID |
2SDPifqBF2 |
| Name |
Clobenzorex-M isomer-3 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(10-18-6-5-7-20(11-18)28-16(3)26)24(15(2)25)13-19-8-9-21(12-22(19)23)29-17(4)27/h5-9,11-12,14H,10,13H2,1-4H3 |
| InChIKey |
AUXASSSIVUWPDA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
417.889 g/mol |
| SMILES |
c1ccc(CC(N(Cc2c(cc(cc2)OC(=O)C)Cl)C(=O)C)C)cc1OC(=O)C |
| SPLASH |
splash10-004i-4960000000-5cf3494459b4d6e18c13 |
| 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 |
| Synonyms |
Clobenzorex-M (HO-HO-chlorobenzyl-) isomer-3 3AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5103 |
