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Hexahydro-3-methyl-1,4-dinitroso-r,2,c-7-diphenyl-1H-1,4-diazepine
SpectraBase Compound ID DVOOtpTUNKf
InChI InChI=1S/C18H20N4O2/c1-14-18(16-10-6-3-7-11-16)22(20-24)17(12-13-21(14)19-23)15-8-4-2-5-9-15/h2-11,14,17-18H,12-13H2,1H3
InChIKey UUZSYYXMLACRIB-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C18H20N4O2
Exact Mass 324.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcmKWAU3S8o
Name Hexahydro-3-methyl-1,4-dinitroso-R,2,C-7-diphenyl-1H-1,4-diazepine
Comments Computed using HOSE algorithm
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Exact Mass 324.158625898 u
Formula C18H20N4O2
InChI InChI=1S/C18H20N4O2/c1-14-18(16-10-6-3-7-11-16)22(20-24)17(12-13-21(14)19-23)15-8-4-2-5-9-15/h2-11,14,17-18H,12-13H2,1H3
InChIKey UUZSYYXMLACRIB-UHFFFAOYSA-N
Molecular Weight 324.384 g/mol
SMILES C1(N(C(CCN(C1C)N=O)C=1C=CC=CC1)N=O)C1=CC=CC=C1