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3-[(4-Fluorophenacyl)thio]-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile
SpectraBase Compound ID KQt2L9Ultrw
InChI InChI=1S/C19H17FN2OS/c1-12-15-4-2-3-5-16(15)17(10-21)19(22-12)24-11-18(23)13-6-8-14(20)9-7-13/h6-9H,2-5,11H2,1H3
InChIKey SRAQMSGEVRQDCT-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C19H17FN2OS
Exact Mass 340.104563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AfBC9mK2YJ
Name 3-[(4-Fluorophenacyl)thio]-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile
CAS Registry Number 329924-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17FN2OS
InChI InChI=1S/C19H17FN2OS/c1-12-15-4-2-3-5-16(15)17(10-21)19(22-12)24-11-18(23)13-6-8-14(20)9-7-13/h6-9H,2-5,11H2,1H3
InChIKey SRAQMSGEVRQDCT-UHFFFAOYSA-N
Molecular Weight 340.416 g/mol
SMILES C1CCc2c(C1)c(nc(c2C#N)SCC(=O)c1ccc(cc1)F)C
SPLASH splash10-00xr-9841000000-45c2893167da8577a9cb
Synonyms 3-([2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl)-1-methyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile 3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Wiley ID 1467473