| SpectraBase Spectrum ID |
1LPQBaVJqq |
| Name |
Traxoprodil -2H2O isomer-2 AC |
| Classification |
Psychotropic drug |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
333.172878983 u |
| Formula |
C22H23NO2 |
| InChI |
InChI=1S/C22H23NO2/c1-17(16-19-8-10-22(11-9-19)25-18(2)24)23-14-12-21(13-15-23)20-6-4-3-5-7-20/h3-12,16H,13-15H2,1-2H3 |
| InChIKey |
YTTUIBYKKWMLBG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
333.431 g/mol |
| SMILES |
c1c(OC(=O)C)ccc(C=C(C)N2CCC(=CC2)c2ccccc2)c1 |
| SPLASH |
splash10-001r-2941000000-1dcbc49f7522b9d2a34e |
| 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. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Traxoprodil -2H2O cis/trans isomer-2 AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_10301 |
