| SpectraBase Spectrum ID |
JIC6i4rjZOy |
| Name |
Pentazocine-M (OH) AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
343.214743795 u |
| Formula |
C21H29NO3 |
| InChI |
InChI=1S/C21H29NO3/c1-14(13-25-16(3)23)7-9-22-10-8-21(4)15(2)20(22)11-17-5-6-18(24)12-19(17)21/h5-7,12,15,20,24H,8-11,13H2,1-4H3/b14-7+/t15?,20-,21?/m1/s1 |
| InChIKey |
NQCWHABCPSEVMT-NHFIDKFJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
343.467 g/mol |
| Nominal Mass |
343 u |
| Quality |
917 |
| Retention Index |
2619 |
| SMILES |
OC=1C=C2C3(C([C@](N(CC3)C\C=C\(COC(=O)C)C)(CC2=CC1)[H])C)C |
| SPLASH |
splash10-02t9-5940000000-efb61e13f5a6f0e2dd82 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2E)-4-((2R)-8-hydroxy-6,11-dimethyl-1,4,5,6-tetrahydro-2,6-methano3-benzazocin-3(2H)-yl)-2-\rmethylbut-2-en-1-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003504 |
