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5-Acetoxypentacyclo[6.4.0.0(2,4).0(3,10).0(7,9)]dodecane-11,11,12,12-tetracarbonyle
SpectraBase Compound ID AB5ORKCA0U9
InChI InChI=1S/C18H14N4O2/c1-7(23)24-9-2-8-10-11(8)16-14-12(9)13(14)15(10)17(3-19,4-20)18(16,5-21)6-22/h8-16H,2H2,1H3/t8-,9?,10+,11-,12+,13-,14+,15-,16+
InChIKey IQMKVLDYYDYYGL-BUWRQMLCSA-N
Mol Weight 318.34 g/mol
Molecular Formula C18H14N4O2
Exact Mass 318.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHlXHIvdbiD
Name 5-Acetoxypentacyclo[6.4.0.0(2,4).0(3,10).0(7,9)]dodecane-11,11,12,12-tetracarbonyle
CAS Registry Number 110318-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N4O2
InChI InChI=1S/C18H14N4O2/c1-7(23)24-9-2-8-10-11(8)16-14-12(9)13(14)15(10)17(3-19,4-20)18(16,5-21)6-22/h8-16H,2H2,1H3/t8-,9?,10+,11-,12+,13-,14+,15-,16+
InChIKey IQMKVLDYYDYYGL-BUWRQMLCSA-N
Molecular Weight 318.336 g/mol
SMILES C1(C([C@]2([C@]3([C@]4([C@@]1([C@]1([C@@]2([C@]1(CC([C@@]34[H])OC(=O)C)[H])[H])[H])[H])[H])[H])[H])(C#N)C#N)(C#N)C#N
SPLASH splash10-004i-9010000000-78af8bacd989cd68a0ab
Source of Spectrum K-120-2084-2
Synonyms 11,11,12,12-tetracyanopentacyclo[6.4.0.0(2,4).0(3,10).0(7,9)]dodec-5-yl acetate S-methyl-O-(11,11,12,12-tetracyanopentacyclo[6.4.0.0(2,4).0(3,10).0(7,9)]dodec-5yl)dithiocarbamate
Wiley ID 1318471