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3-(N-Propylamino)caprolactam
SpectraBase Compound ID DI1XSkWxcXn
InChI InChI=1S/C9H18N2O/c1-2-6-10-8-5-3-4-7-11-9(8)12/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey RZSOMCZZKBQTGI-QMMMGPOBSA-N
Mol Weight 170.26 g/mol
Molecular Formula C9H18N2O
Exact Mass 170.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LrLkhZrk4U
Name 3-(N-Propylamino)caprolactam
Comments Removed - unrepairable contamination (CH2Cl2)
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Formula C9H18N2O
InChI InChI=1S/C9H18N2O/c1-2-6-10-8-5-3-4-7-11-9(8)12/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey RZSOMCZZKBQTGI-QMMMGPOBSA-N
Molecular Weight 170.256 g/mol
SMILES N1CCCC[C@@](C1=O)(NCCC)[H]
SPLASH splash10-0002-9000000000-3a4af33769dd510950e3
Source of Spectrum KC-0-2929-8
Synonyms (S)-2-(N-Propylamino)caprolactam (S)-3-Propylamino-azepan-2-one 4-(propylamino)hexahydro-2H-azepin-2-one (3S)-3-(propylamino)-2-azepanone
Wiley ID 786907