| SpectraBase Spectrum ID |
DndG7rQBUjw |
| Name |
Pentazocine AC |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
327.219829176 u |
| Formula |
C21H29NO2 |
| InChI |
InChI=1S/C21H29NO2/c1-14(2)8-10-22-11-9-21(5)15(3)20(22)12-17-6-7-18(13-19(17)21)24-16(4)23/h6-8,13,15,20H,9-12H2,1-5H3/t15?,20-,21-/m1/s1 |
| InChIKey |
RZQOPGCRAQSJKM-UVDRSEBZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
327.468 g/mol |
| Nominal Mass |
327 u |
| Quality |
987 |
| Retention Index |
2548 |
| SMILES |
[C@]12(C([C@](N(CC2)CC=C(C)C)(CC=2C1=CC(=CC2)OC(=O)C)[H])C)C |
| SPLASH |
splash10-052f-9871000000-54117a321f19ada17c1b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R,6R)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano3-benzazocin-\r8-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003500 |
