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2-Imidazoline-1-carbothioamide, N-cyclohexyl-2-(1-naphthylmethyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Imidazoline-1-carbothioamide, N-cyclohexyl-2-(1-naphthylmethyl)-
SpectraBase Compound ID LAVIDgs14uE
InChI InChI=1S/C21H25N3S/c25-21(23-18-10-2-1-3-11-18)24-14-13-22-20(24)15-17-9-6-8-16-7-4-5-12-19(16)17/h4-9,12,18H,1-3,10-11,13-15H2,(H,23,25)
InChIKey AIRBRFDWKPYDGB-UHFFFAOYSA-N
Mol Weight 351.51 g/mol
Molecular Formula C21H25N3S
Exact Mass 351.176919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3OUrKIoWV2a
Name 2-Imidazoline-1-carbothioamide, N-cyclohexyl-2-(1-naphthylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.176918991 u
Formula C21H25N3S
InChI InChI=1S/C21H25N3S/c25-21(23-18-10-2-1-3-11-18)24-14-13-22-20(24)15-17-9-6-8-16-7-4-5-12-19(16)17/h4-9,12,18H,1-3,10-11,13-15H2,(H,23,25)
InChIKey AIRBRFDWKPYDGB-UHFFFAOYSA-N
Molecular Weight 351.512 g/mol
SMILES C1CCC(CC1)NC(N1C(=NCC1)CC=1C=2C(C=CC1)=CC=CC2)=S