| SpectraBase Spectrum ID |
4VCGmfOL8hV |
| Name |
10-[3-(3-Methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)propyl]-2-(trifluoromethyl)phenothiazine, dihydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
505.133308977 u |
| Formula |
C23H28Cl2F3N3S |
| InChI |
InChI=1S/C23H26F3N3S.2ClH/c1-27-14-17-8-9-18(15-27)28(17)11-4-12-29-19-5-2-3-6-21(19)30-22-10-7-16(13-20(22)29)23(24,25)26;;/h2-3,5-7,10,13,17-18H,4,8-9,11-12,14-15H2,1H3;2*1H |
| InChIKey |
LVSMPEFVRHJDPO-UHFFFAOYSA-N |
| Molecular Weight |
506.459 g/mol |
| SMILES |
Cl.C(F)(C1=CC2=C(C=C1)SC1=C(N2CCCN2C3CN(CC2CC3)C)C=CC=C1)(F)F.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.898433 |
![10-[3-(3-Methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)propyl]-2-(trifluoromethyl)phenothiazine, dihydrochloride](/api/spectrum/4VCGmfOL8hV/structure.png?h=300&w=458 "10-[3-(3-Methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)propyl]-2-(trifluoromethyl)phenothiazine, dihydrochloride")
