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anti-4'-Cyano-5-bromo-4'-methylspiro[adamantane-2,2'-oxetane]
SpectraBase Compound ID 4T0CEz1FuPp
InChI InChI=1S/C14H18BrNO/c1-12(8-16)7-14(17-12)10-2-9-3-11(14)6-13(15,4-9)5-10/h9-11H,2-7H2,1H3/t9-,10-,11+,12?,13-,14?
InChIKey ADXYTKHHBFKZMD-WBZFGESHSA-N
Mol Weight 296.21 g/mol
Molecular Formula C14H18BrNO
Exact Mass 295.057177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QDVaWXHmi3
Name anti-4'-Cyano-5-bromo-4'-methylspiro[adamantane-2,2'-oxetane]
Alternate Name(s) syn-4'-Cyano-5-bromo-4'-methylspiro[adamantane-2,2'-oxetane] 7-Bromo-4'-methylspiro[adamantane-2,2'-oxetane]-4'-carbonitrile
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Formula C14H18BrNO
InChI InChI=1S/C14H18BrNO/c1-12(8-16)7-14(17-12)10-2-9-3-11(14)6-13(15,4-9)5-10/h9-11H,2-7H2,1H3/t9-,10-,11+,12?,13-,14?
InChIKey ADXYTKHHBFKZMD-WBZFGESHSA-N
Molecular Weight 296.208 g/mol
SMILES C12([C@@]3(C[C@]4(C[C@]2(C[C@](C4)(C3)[H])[H])Br)[H])OC(C1)(C#N)C
SPLASH splash10-02ta-7980000000-bf2aeb804d73e8a1c8e7
Source of Spectrum KC-0-585-5
Wiley ID 821722