| SpectraBase Spectrum ID |
HWFtj3LQRSx |
| Name |
Benzoctamine-M (HO-) 2AC |
| Classification |
Tranquilizer |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
349.167793602 u |
| Formula |
C22H23NO3 |
| InChI |
InChI=1S/C22H23NO3/c1-14(24)23(3)13-22-11-10-17(18-6-4-5-7-20(18)22)19-9-8-16(12-21(19)22)26-15(2)25/h4-9,12,17H,10-11,13H2,1-3H3 |
| InChIKey |
PDOMCGVODNDUQN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
349.430 g/mol |
| SMILES |
c12c(C3(CCC1c1c3cccc1)CN(C(C)=O)C)cc(cc2)OC(C)=O |
| SPLASH |
splash10-05di-2392000000-37330bf931e003e2acc8 |
| 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_1250 |
