SpectraBase Spectrum ID |
GVKA01NZSM4 |
Name |
Fluanisone |
CAS Registry Number |
1480-19-9 |
Classification |
Pharmaceutical drug, tranquiliser |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
356.190006214 u |
Formula |
C21H25FN2O2 |
InChI |
InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3 |
InChIKey |
IRYFCWPNDIUQOW-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
356.441 g/mol |
Nominal Mass |
356 u |
Quality |
924 |
Retention Index |
2732 |
SMILES |
C1(N2CCN(CC2)CCCC(C=2C=CC(=CC2)F)=O)=C(C=CC=C1)OC |
SPLASH |
splash10-0avi-2941000000-2f8f505365dc630ce6fb |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(4-Fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_007792 |