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syn-12,13,16,17,18,19-Hexadeuterio-4-nitro-[2.2](1,4)naphthalenoparacyclophane
SpectraBase Compound ID GyGyOHsvKoO
InChI InChI=1S/C20H17NO2/c22-21(23)20-13-14-5-7-15-9-10-16(11-12-17(20)8-6-14)19-4-2-1-3-18(15)19/h1-4,6,8-10,13H,5,7,11-12H2/i1D,2D,3D,4D,9D,10D
InChIKey NBGKVNPWXRXJFC-GZDINIJWSA-N
Mol Weight 309.4 g/mol
Molecular Formula C20H112D6NO2
Exact Mass 309.163589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SZHOfEsw6e
Name syn-12,13,16,17,18,19-Hexadeuterio-4-nitro-[2.2](1,4)naphthalenoparacyclophane
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Formula C20H11D6NO2
InChI InChI=1S/C20H17NO2/c22-21(23)20-13-14-5-7-15-9-10-16(11-12-17(20)8-6-14)19-4-2-1-3-18(15)19/h1-4,6,8-10,13H,5,7,11-12H2/i1D,2D,3D,4D,9D,10D
InChIKey NBGKVNPWXRXJFC-GZDINIJWSA-N
Molecular Weight 309.398 g/mol
SMILES c1(N(=O)=O)c2CCc3c4c(c([2D])c(c(c4c(CCc(c1)cc2)c([2D])c3[2D])[2D])[2D])[2D]
SPLASH splash10-03di-0901000000-79e62cf5f269b087dc27
Source of Spectrum KC-0-2144-11
Synonyms anti-12,13,16,17,18,19-Hexadeuterio-4-nitro-[2.2](1,4)naphthalenoparacyclophane
Wiley ID 820506