| SpectraBase Spectrum ID |
8Hack9Hgc9Q |
| Name |
Pentazocine-M (N-desalkyl) 2AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
301.167793602 u |
| Formula |
C18H23NO3 |
| InChI |
InChI=1S/C18H23NO3/c1-11-17-9-14-5-6-15(22-13(3)21)10-16(14)18(11,4)7-8-19(17)12(2)20/h5-6,10-11,17H,7-9H2,1-4H3/t11?,17-,18?/m1/s1 |
| InChIKey |
JTIFCDSHTKTFHJ-CXKHSYRPSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
301.386 g/mol |
| Nominal Mass |
301 u |
| Quality |
915 |
| Retention Index |
2318 |
| SMILES |
[C@]12(C(C(C=3C(C2)=CC=C(C3)OC(=O)C)(CCN1C(=O)C)C)C)[H] |
| SPLASH |
splash10-0079-9600000000-22290fcfa34ea71c7580 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R)-3-acetyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano3-benzazocin-8-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003501 |
