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2-Cyano-4-iodo-6-oxatricyclo[4.2.1.1(3,9)]nonan-7-one
SpectraBase Compound ID 9zmN6iF8Ma
InChI InChI=1S/C9H8INO2/c10-7-3-1-4-6(5(3)2-11)9(12)13-8(4)7/h3-8H,1H2/t3-,4+,5+,6+,7?,8?/m1/s1
InChIKey UHUWWVQSYVACCK-RCQDHHTBSA-N
Mol Weight 289.07 g/mol
Molecular Formula C9H8INO2
Exact Mass 288.959973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rtwSjdOsRj
Name 2-Cyano-4-iodo-6-oxatricyclo[4.2.1.1(3,9)]nonan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8INO2
InChI InChI=1S/C9H8INO2/c10-7-3-1-4-6(5(3)2-11)9(12)13-8(4)7/h3-8H,1H2/t3-,4+,5+,6+,7?,8?/m1/s1
InChIKey UHUWWVQSYVACCK-RCQDHHTBSA-N
Molecular Weight 289.072 g/mol
SMILES C1(OC2C(I)[C@]3([C@@]([C@@]1([C@@]2(C3)[H])[H])(C#N)[H])[H])=O
SPLASH splash10-03di-0920000000-edbf812330a747d3fc88
Source of Spectrum HE-1999-996-6
Synonyms 1-Iodo-4-oxo-6-cyano-3-oxatricyclo[4.2.2.1(2,5).1(7,8)]nonane 2-iodo-5-oxo-4-oxatricyclo[4.2.1.0(3,7)]nonane-9-carbonitrile
Wiley ID 1613521