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3-(fluoranylmethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID D5zk8ogvD9m
InChI InChI=1S/C11H11FN2S/c12-5-11-3-8-1-2-10(14-7-15)4-9(8)6-13-11/h1-2,4,11,13H,3,5-6H2
InChIKey VKQGFYVCKLGQHW-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C11H11FN2S
Exact Mass 222.062698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Do3dMxZdR4
Name 3-(fluoranylmethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) 3-(fluoromethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11FN2S
InChI InChI=1S/C11H11FN2S/c12-5-11-3-8-1-2-10(14-7-15)4-9(8)6-13-11/h1-2,4,11,13H,3,5-6H2
InChIKey VKQGFYVCKLGQHW-UHFFFAOYSA-N
Molecular Weight 222.281 g/mol
SMILES N1C(Cc2ccc(cc2C1)N=C=S)CF
SPLASH splash10-000i-1910000000-2822dcffc206b41ba6ab
Source of Spectrum F2-42-3598-25
Wiley ID 1600397