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(+-)-(3S,5S)-11-Chloro-2,3,4,5-tetrahydro-9-nitro-5,12-epoxy-7,3-methano-1H-benzo[b]azonine
SpectraBase Compound ID C4A1TXmp5ao
InChI InChI=1S/C13H11ClN2O3/c14-11-3-7(16(17)18)2-9-10-4-8-1-6(13(10)19-8)5-15-12(9)11/h2-4,6,8,13,15H,1,5H2/t6-,8-,13+/m1/s1
InChIKey GIGSLCBAPXFCQU-UXJWMTKNSA-N
Mol Weight 278.69 g/mol
Molecular Formula C13H11ClN2O3
Exact Mass 278.04582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SLxH2VdnWO
Name (+-)-(3S,5S)-11-Chloro-2,3,4,5-tetrahydro-9-nitro-5,12-epoxy-7,3-methano-1H-benzo[b]azonine
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Formula C13H11ClN2O3
InChI InChI=1S/C13H11ClN2O3/c14-11-3-7(16(17)18)2-9-10-4-8-1-6(13(10)19-8)5-15-12(9)11/h2-4,6,8,13,15H,1,5H2/t6-,8-,13+/m1/s1
InChIKey GIGSLCBAPXFCQU-UXJWMTKNSA-N
Molecular Weight 278.695 g/mol
SMILES N1C[C@@]2([C@]3(C(c4c1c(cc(c4)N(=O)=O)Cl)=C[C@@](C2)(O3)[H])[H])[H]
SPLASH splash10-004i-0090000000-7c2dc21c5700e018acd2
Source of Spectrum F-68-1884-21a
Wiley ID 1707840