| SpectraBase Spectrum ID |
1kNjKPJGRV3 |
| Name |
Benzoctamine-M isomer-1 2AC |
| Classification |
Tranquilizer |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
335.152143537 u |
| Formula |
C21H21NO3 |
| InChI |
InChI=1S/C21H21NO3/c1-13(23)22-12-21-10-9-16(17-5-3-4-6-19(17)21)18-8-7-15(11-20(18)21)25-14(2)24/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,23) |
| InChIKey |
ORVLTAXFMYYQSW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
335.403 g/mol |
| SMILES |
c12c(C3(CCC1c1c3cccc1)CNC(C)=O)cc(cc2)OC(C)=O |
| SPLASH |
splash10-014i-1290000000-9778cd33e4e384b82826 |
| 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 |
Benzoctamine-M (nor-HO-) isomer-1 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1247 |
