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2-[3-[4-Butyl-4-hydroxy-1-piperidyl]propyl]-2-(4-fluorophenyl)-1,3-dithiolane
SpectraBase Compound ID BFdCIUrqYAm
InChI InChI=1S/C21H32FNOS2/c1-2-3-9-20(24)11-14-23(15-12-20)13-4-10-21(25-16-17-26-21)18-5-7-19(22)8-6-18/h5-8,24H,2-4,9-17H2,1H3
InChIKey PJSITWRXPYUTFM-UHFFFAOYSA-N
Mol Weight 397.6 g/mol
Molecular Formula C21H32FNOS2
Exact Mass 397.190935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLfcfBDQASx
Name 2-[3-[4-Butyl-4-hydroxy-1-piperidyl]propyl]-2-(4-fluorophenyl)-1,3-dithiolane
Alternate Name(s) 4-Butyl-1-{3-[2-(4-fluorophenyl)-1,3-dithiolan-2-yl]propyl}-4-piperidinol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32FNOS2
InChI InChI=1S/C21H32FNOS2/c1-2-3-9-20(24)11-14-23(15-12-20)13-4-10-21(25-16-17-26-21)18-5-7-19(22)8-6-18/h5-8,24H,2-4,9-17H2,1H3
InChIKey PJSITWRXPYUTFM-UHFFFAOYSA-N
Molecular Weight 397.611 g/mol
SMILES OC1(CCN(CCCC2(SCCS2)c2ccc(cc2)F)CC1)CCCC
SPLASH splash10-0ufr-0509000000-3b4dd519fcaeb50afa50
Source of Spectrum SO-0-8074-13
Wiley ID 1544290