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N-[2-(3-Chlorophenethyl)]-N'-[2-(3-fluorophenethyl)]-thiourea

View entire compound with spectra: 2 NMR

N-[2-(3-Chlorophenethyl)]-N'-[2-(3-fluorophenethyl)]-thiourea
SpectraBase Compound ID GIVAGQf9Fzm
InChI InChI=1S/C17H18ClFN2S/c18-15-5-1-3-13(11-15)7-9-20-17(22)21-10-8-14-4-2-6-16(19)12-14/h1-6,11-12H,7-10H2,(H2,20,21,22)
InChIKey LYNXVJSJDUQWRK-UHFFFAOYSA-N
Mol Weight 336.86 g/mol
Molecular Formula C17H18ClFN2S
Exact Mass 336.086326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cuL2XzVRxl
Name N-[2-(3-Chlorophenethyl)]-N'-[2-(3-fluorophenethyl)]-thiourea
Comments Computed using HOSE algorithm
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Exact Mass 336.086325625 u
Formula C17H18ClFN2S
InChI InChI=1S/C17H18ClFN2S/c18-15-5-1-3-13(11-15)7-9-20-17(22)21-10-8-14-4-2-6-16(19)12-14/h1-6,11-12H,7-10H2,(H2,20,21,22)
InChIKey LYNXVJSJDUQWRK-UHFFFAOYSA-N
Molecular Weight 336.856 g/mol
SMILES C=1(F)C=C(CCNC(=S)NCCC2=CC(=CC=C2)Cl)C=CC1