For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[3-[4-(3-Chloro-4-hydroxy-1-piperidyl]propyl]-2-(4-fluorophenyl)-1,3-dithiolane
SpectraBase Compound ID Crst9jFv80e
InChI InChI=1S/C23H27ClFNO2S2/c24-20-16-18(4-7-21(20)27)22(28)9-12-26(13-10-22)11-1-8-23(29-14-15-30-23)17-2-5-19(25)6-3-17/h2-7,16,27-28H,1,8-15H2
InChIKey QUZPOXJPYLSHLS-UHFFFAOYSA-N
Mol Weight 468.05 g/mol
Molecular Formula C23H27ClFNO2S2
Exact Mass 467.115577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B291Mm4AHBY
Name 2-[3-[4-(3-Chloro-4-hydroxy-1-piperidyl]propyl]-2-(4-fluorophenyl)-1,3-dithiolane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27ClFNO2S2
InChI InChI=1S/C23H27ClFNO2S2/c24-20-16-18(4-7-21(20)27)22(28)9-12-26(13-10-22)11-1-8-23(29-14-15-30-23)17-2-5-19(25)6-3-17/h2-7,16,27-28H,1,8-15H2
InChIKey QUZPOXJPYLSHLS-UHFFFAOYSA-N
Molecular Weight 468.045 g/mol
SMILES Oc1c(cc(C2(CCN(CCCC3(SCCS3)c3ccc(cc3)F)CC2)O)cc1)Cl
SPLASH splash10-066u-0090800000-873d32b3842b90603a2f
Source of Spectrum SO-0-806-11
Wiley ID 1544291