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1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-4a-nitro-, (1.alpha.,4.alpha.,4a.beta.,8a.beta.)-
SpectraBase Compound ID 5J6OZlzxXse
InChI InChI=1S/C11H9NO4/c13-8-3-4-9(14)11(12(15)16)7-2-1-6(5-7)10(8)11/h1-4,6-7,10H,5H2/t6-,7+,10-,11-/m0/s1
InChIKey KGXNCZDTZSXJEE-SSDHTEECSA-N
Mol Weight 219.2 g/mol
Molecular Formula C11H9NO4
Exact Mass 219.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsfqgQleA5N
Name 1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-4a-nitro-, (1.alpha.,4.alpha.,4a.beta.,8a.beta.)-
CAS Registry Number 88586-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO4
InChI InChI=1S/C11H9NO4/c13-8-3-4-9(14)11(12(15)16)7-2-1-6(5-7)10(8)11/h1-4,6-7,10H,5H2/t6-,7+,10-,11-/m0/s1
InChIKey KGXNCZDTZSXJEE-SSDHTEECSA-N
Molecular Weight 219.196 g/mol
SMILES [C@]12(N(=O)=O)[C@@]([C@]3([H])C[C@]2(C=C3)[H])(C(=O)C=CC1=O)[H]
SPLASH splash10-00di-3900000000-a90542249ce07838549e
Source of Spectrum J-49-674-0
Synonyms (1S,2R,7R,8R)-2-nitrotricyclo[6.2.1.0(2,7)]undeca-4,9-diene-3,6-dione 4a-nitro-1,4,4a,8a-tetrahydro-endo-1,4-methanonaphthalene-5,8-dione 4a-nitro-1,4,4a,8a-tetrahydro-exo-1,4-methanonaphthalene-5,8-dione
Wiley ID 1218724