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(S)-(+)-5-Methyl-4-phenyl-1,5-diazacyclooctane-2-one
SpectraBase Compound ID FEHyP6s59JU
InChI InChI=1S/C13H18N2O/c1-15-9-5-8-14-13(16)10-12(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKey JJXMWFHHPADLCT-LBPRGKRZSA-N
Mol Weight 218.3 g/mol
Molecular Formula C13H18N2O
Exact Mass 218.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zn7yJUUaGR
Name (S)-(+)-5-Methyl-4-phenyl-1,5-diazacyclooctane-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O
InChI InChI=1S/C13H18N2O/c1-15-9-5-8-14-13(16)10-12(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKey JJXMWFHHPADLCT-LBPRGKRZSA-N
Molecular Weight 218.300 g/mol
SMILES N1CCCN([C@@](CC1=O)(c1ccccc1)[H])C
SPLASH splash10-0159-0930000000-e96865775e26b738b275
Source of Spectrum AJ-68-3127-8
Synonyms (4S)-5-methyl-4-phenylhexahydro-1,5-diazocin-2(1H)-one
Wiley ID 773322