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2-Phenyl-1,5,9-triazacyclotridecan-4-one
SpectraBase Compound ID KvfRkNEmY1t
InChI InChI=1S/C16H25N3O/c20-16-13-15(14-7-2-1-3-8-14)18-11-5-4-9-17-10-6-12-19-16/h1-3,7-8,15,17-18H,4-6,9-13H2,(H,19,20)
InChIKey PKWPVMYYBCGGEB-UHFFFAOYSA-N
Mol Weight 275.4 g/mol
Molecular Formula C16H25N3O
Exact Mass 275.199762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YixIqSVpyN
Name 2-Phenyl-1,5,9-triazacyclotridecan-4-one
CAS Registry Number 73397-35-0
Comments Less than 3 mono-isotopic peaks
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Formula C16H25N3O
InChI InChI=1S/C16H25N3O/c20-16-13-15(14-7-2-1-3-8-14)18-11-5-4-9-17-10-6-12-19-16/h1-3,7-8,15,17-18H,4-6,9-13H2,(H,19,20)
InChIKey PKWPVMYYBCGGEB-UHFFFAOYSA-N
Molecular Weight 275.396 g/mol
SMILES N1CCCCNCCCNC(CC1c1ccccc1)=O
SPLASH splash10-0a4i-0090000000-34e6929578663fa76c38
Source of Spectrum K-2001-2929-14
Wiley ID 1579989