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Ethanone, 1-[2-(hexahydro-1H-azepin-1-yl)-4-methyl-5-thiazolyl]-
SpectraBase Compound ID HLxkfZjRzch
InChI InChI=1S/C12H18N2OS/c1-9-11(10(2)15)16-12(13-9)14-7-5-3-4-6-8-14/h3-8H2,1-2H3
InChIKey RXNCCFZYRAGLLE-UHFFFAOYSA-N
Mol Weight 238.35 g/mol
Molecular Formula C12H18N2OS
Exact Mass 238.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L31Hi162ZL4
Name Ethanone, 1-[2-(hexahydro-1H-azepin-1-yl)-4-methyl-5-thiazolyl]-
CAS Registry Number 114171-22-1
Comments Less than 3 mono-isotopic peaks
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Formula C12H18N2OS
InChI InChI=1S/C12H18N2OS/c1-9-11(10(2)15)16-12(13-9)14-7-5-3-4-6-8-14/h3-8H2,1-2H3
InChIKey RXNCCFZYRAGLLE-UHFFFAOYSA-N
Molecular Weight 238.349 g/mol
SMILES c1(sc(C(=O)C)c(n1)C)N1CCCCCC1
SPLASH splash10-000i-0090000000-eaba2f33042fa3f943a5
Source of Spectrum KC-1988-2217-4
Synonyms 1-(2-hexahydro-1H-azepin-1-yl-4-methyl-1,3-thiazol-5-yl)ethanone 1-(5-Acetyl-4-methylthiazol-2-yl)hexahydroazepine 1-[2-(1-azepanyl)-4-methyl-5-thiazolyl]ethanone 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
Wiley ID 1240316