| SpectraBase Spectrum ID |
JqOsvYQs8Wf |
| Name |
Pentazocine-M (OH) 2AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
385.225308478 u |
| Formula |
C23H31NO4 |
| InChI |
InChI=1S/C23H31NO4/c1-15(14-27-17(3)25)8-10-24-11-9-23(5)16(2)22(24)12-19-6-7-20(13-21(19)23)28-18(4)26/h6-8,13,16,22H,9-12,14H2,1-5H3/b15-8+/t16?,22-,23?/m1/s1 |
| InChIKey |
DZSQSRHQZLLLTR-PSWWPNQUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
385.504 g/mol |
| Nominal Mass |
385 u |
| Quality |
936 |
| Retention Index |
2916 |
| SMILES |
C12(C([C@](N(CC2)C\C=C\(COC(=O)C)C)(CC=2C1=CC(=CC2)OC(=O)C)[H])C)C |
| SPLASH |
splash10-0bvi-2962000000-0f3f27d6e9d55b80af3c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2E)-4-((2R)-8-(acetyloxy)-6,11-dimethyl-1,4,5,6-tetrahydro-2,6-methano3-benzazocin-3(2H)-yl)-\r2-methylbut-2-en-1-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003503 |
