| SpectraBase Spectrum ID |
6qTqO88miu8 |
| Name |
Methadone-M (bis-nor-HO-) -H2O AC |
| Classification |
Potent analgesic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
321.172878983 u |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-4-20-21(14-15(2)22-20,17-8-6-5-7-9-17)18-10-12-19(13-11-18)24-16(3)23/h5-13,15H,4,14H2,1-3H3 |
| InChIKey |
QTGHFTSMQUHLCJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
321.420 g/mol |
| SMILES |
C=1(C(c2ccc(OC(=O)C)cc2)(CC(N1)C)c1ccccc1)CC |
| SPLASH |
splash10-0600-2490000000-7b889c5f55b3026c4807 |
| 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_5298 |
