| SpectraBase Spectrum ID |
1ZagVbglHA9 |
| Name |
Traxoprodil -2H2O isomer-1 |
| Classification |
Psychotropic drug |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
291.162314299 u |
| Formula |
C20H21NO |
| InChI |
InChI=1S/C20H21NO/c1-16(15-17-7-9-20(22)10-8-17)21-13-11-19(12-14-21)18-5-3-2-4-6-18/h2-11,15,22H,12-14H2,1H3 |
| InChIKey |
YWSWDABFZKULQI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
291.394 g/mol |
| SMILES |
c1cc(C=C(C)N2CCC(=CC2)c2ccccc2)ccc1O |
| SPLASH |
splash10-053f-3930000000-f823a89810b68a59fc96 |
| 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-1 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_10304 |
