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[2-(1-Azepanyl)-4-phenyl-5-thiazolyl]-phenylmethanone

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

[2-(1-Azepanyl)-4-phenyl-5-thiazolyl]-phenylmethanone
SpectraBase Compound ID E2eLeUIVxqc
InChI InChI=1S/C22H22N2OS/c25-20(18-13-7-4-8-14-18)21-19(17-11-5-3-6-12-17)23-22(26-21)24-15-9-1-2-10-16-24/h3-8,11-14H,1-2,9-10,15-16H2
InChIKey NJGRPRMHPAPTDI-UHFFFAOYSA-N
Mol Weight 362.49 g/mol
Molecular Formula C22H22N2OS
Exact Mass 362.145285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Gje5VSmYW9
Name [2-(1-Azepanyl)-4-phenyl-5-thiazolyl]-phenylmethanone
Comments Computed using HOSE algorithm
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Exact Mass 362.145284509 u
Formula C22H22N2OS
InChI InChI=1S/C22H22N2OS/c25-20(18-13-7-4-8-14-18)21-19(17-11-5-3-6-12-17)23-22(26-21)24-15-9-1-2-10-16-24/h3-8,11-14H,1-2,9-10,15-16H2
InChIKey NJGRPRMHPAPTDI-UHFFFAOYSA-N
Molecular Weight 362.491 g/mol
SMILES C=1(SC(N2CCCCCC2)=NC1C1=CC=CC=C1)C(=O)C1=CC=CC=C1