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(11E)-(+-)-9-Amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-5,9-methanocycloocta[d]pyrimidin-2(1H)-one
SpectraBase Compound ID KC1l99pY9sF
InChI InChI=1S/C14H17N3O/c1-3-11-9-4-8(2)5-14(11,15)6-12-10(9)7-16-13(18)17-12/h3,5,7,9H,4,6,15H2,1-2H3,(H,16,17,18)/b11-3+/t9-,14-/m0/s1
InChIKey QKIYZNWIJWMYMN-FZRZCOHNSA-N
Mol Weight 243.31 g/mol
Molecular Formula C14H17N3O
Exact Mass 243.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GkBh3BKxgS
Name (11E)-(+-)-9-Amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-5,9-methanocycloocta[d]pyrimidin-2(1H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H17N3O
InChI InChI=1S/C14H17N3O/c1-3-11-9-4-8(2)5-14(11,15)6-12-10(9)7-16-13(18)17-12/h3,5,7,9H,4,6,15H2,1-2H3,(H,16,17,18)/b11-3+/t9-,14-/m0/s1
InChIKey QKIYZNWIJWMYMN-FZRZCOHNSA-N
Molecular Weight 243.310 g/mol
SMILES N1C(N=CC=2[C@]3(\C([C@@](CC12)(C=C(C3)C)N)=C\C)[H])=O
SPLASH splash10-004l-0090000000-54950751ca15041d01dd
Source of Spectrum KC-0-1296-27
Synonyms (13E)-9-amino-13-ethylidene-11-methyl-4,6-diazatricyclo[7.3.1.0(2,7)]trideca-2(7),3,10-trien-5-one
Wiley ID 785922