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[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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LWMx7jxDQs
Name [2-(1-azepanyl)-4-phenyl-5-thiazolyl]-phenylmethanone
CAS Registry Number 114171-33-4
Comments Less than 3 mono-isotopic peaks
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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 c1(sc(N2CCCCCC2)nc1-c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-03di-0209000000-9ce7f0ef6cb0902240fd
Source of Spectrum KC-1988-2217-4
Synonyms [2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-phenyl-methanone [2-(azepan-1-yl)-4-phenyl-thiazol-5-yl]-phenyl-methanone
Wiley ID 1349791