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2-Oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-triene-5,8-dione, 9-methyl-7-(2-methylpropyl)-, (S)-
SpectraBase Compound ID IaKh7RKYHWx
InChI InChI=1S/C18H26N2O3/c1-13(2)12-16-18(22)20(3)10-8-14-4-6-15(7-5-14)23-11-9-17(21)19-16/h4-7,13,16H,8-12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKey IOYOKLOSZBXKTH-INIZCTEOSA-N
Mol Weight 318.42 g/mol
Molecular Formula C18H26N2O3
Exact Mass 318.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKsFFrIelpi
Name 2-Oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-triene-5,8-dione, 9-methyl-7-(2-methylpropyl)-, (S)-
Alternate Name(s) (7S)-7-isobutyl-9-methyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-5,8-dione Cyclo-(3-(4-.beta.-N-methylaminoethyl)phenyloxypropanoyl-L-leucyl)
CAS Registry Number 69100-25-0
Comments Less than 3 mono-isotopic peaks
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Formula C18H26N2O3
InChI InChI=1S/C18H26N2O3/c1-13(2)12-16-18(22)20(3)10-8-14-4-6-15(7-5-14)23-11-9-17(21)19-16/h4-7,13,16H,8-12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKey IOYOKLOSZBXKTH-INIZCTEOSA-N
Molecular Weight 318.417 g/mol
SMILES N1C(CCOc2ccc(CCN(C([C@@]1(CC(C)C)[H])=O)C)cc2)=O
SPLASH splash10-0006-9001000000-7c0ceb9909febd4594af
Source of Spectrum C-100-8208-0
Wiley ID 1318542