| SpectraBase Spectrum ID |
DkTBbVc7obw |
| Name |
Norcodeine 2AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
369.157622840 u |
| Formula |
C21H23NO5 |
| InChI |
InChI=1S/C21H23NO5/c1-11(23)22-9-8-21-14-5-7-17(26-12(2)24)20(21)27-19-16(25-3)6-4-13(18(19)21)10-15(14)22/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1 |
| InChIKey |
YJXIDUJUPPLLIM-PVHGPHFFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
369.417 g/mol |
| Nominal Mass |
369 u |
| Quality |
958 |
| Retention Index |
2921 |
| SMILES |
[C@]123[C@@]4([C@](N(CC3)C(=O)C)(CC=3C1=C(O[C@]2([C@](C=C4)(OC(=O)C)[H])[H])C(=CC3)OC)[H])[H] |
| SPLASH |
splash10-00di-3691000000-3dac831ce8ea72cb0066 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4R,4aR,7S,7aR,12bS)-3-acetyl-9-methoxy-2,3,4,4a,7,7a-hexahydro-1H-4,12-methano[1]\rbenzofuro[3,2-e]isoquinolin-7-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013675 |
