| SpectraBase Spectrum ID |
Avk2a4d1rhb |
| Name |
5,8A-Dimethyl-3-(4-phenyl-piperazin-1-ylmethyl)-3A,5,6,7,8,8A,9,9A-octahydro-3H-naphtho[2,3-B]furan-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.262028341 u |
| Formula |
C25H34N2O2 |
| InChI |
InChI=1S/C25H34N2O2/c1-18-7-6-10-25(2)16-23-20(15-22(18)25)21(24(28)29-23)17-26-11-13-27(14-12-26)19-8-4-3-5-9-19/h3-5,8-9,15,18,20-21,23H,6-7,10-14,16-17H2,1-2H3 |
| InChIKey |
KOEZUQWSZXYTHE-UHFFFAOYSA-N |
| Molecular Weight |
394.559 g/mol |
| SMILES |
C1(C(OC2C1C=C1C(C)CCCC1(C2)C)=O)CN1CCN(CC1)C1=CC=CC=C1 |
![5,8a-Dimethyl-3-(4-phenyl-piperazin-1-ylmethyl)-3a,5,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one](/api/spectrum/Avk2a4d1rhb/structure.png?h=300&w=458 "5,8a-Dimethyl-3-(4-phenyl-piperazin-1-ylmethyl)-3a,5,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one")
