| SpectraBase Spectrum ID |
8HYzGxHSSLg |
| Name |
Pentazocine-M (2OH) AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
373.225308478 u |
| Formula |
C22H31NO4 |
| InChI |
InChI=1S/C22H31NO4/c1-14(13-24)21(26-5)12-23-9-8-22(4)15(2)20(23)10-17-6-7-18(11-19(17)22)27-16(3)25/h6-7,11,15,20-21,24H,1,8-10,12-13H2,2-5H3/t15?,20-,21?,22-/m1/s1 |
| InChIKey |
SNYWDCNHJPEJJU-MVZVZCTNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
373.493 g/mol |
| Nominal Mass |
373 u |
| Quality |
931 |
| Retention Index |
2827 |
| SMILES |
OCC(C(CN1[C@]2(C([C@](C=3C(C2)=CC=C(C3)OC(=O)C)(CC1)C)C)[H])OC)=C |
| SPLASH |
splash10-00di-4690000000-1285e7c66ab35283a268 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R,6R)-3-(3-(hydroxymethyl)-2-methoxybut-3-en-1-yl)-6,11-dimethyl-1,2,3,4,5,6-hexahydro-\r2,6-methano3-benzazocin-8-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003502 |
