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Benzocyclooctene, formamide deriv.
SpectraBase Compound ID 7XIx4bhyWIX
InChI InChI=1S/C16H25NO2/c1-15(2)7-5-9-16(11-17-12-18)8-4-3-6-13(16)14(19)10-15/h5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H,17,18)/b9-5-/t13-,16+/m1/s1
InChIKey AOFCPQOVKCHWLF-KCJAYBPXSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jqa3wQI8seG
Name Benzocyclooctene, formamide deriv.
CAS Registry Number 108392-94-5
Comments Less than 3 mono-isotopic peaks
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Formula C16H25NO2
InChI InChI=1S/C16H25NO2/c1-15(2)7-5-9-16(11-17-12-18)8-4-3-6-13(16)14(19)10-15/h5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H,17,18)/b9-5-/t13-,16+/m1/s1
InChIKey AOFCPQOVKCHWLF-KCJAYBPXSA-N
Molecular Weight 263.381 g/mol
SMILES N(C=O)C[C@]12[C@@](C(CC(C\C=C/2)(C)C)=O)(CCCC1)[H]
SPLASH splash10-004i-9010000000-cc9701137c1f9985bc4e
Source of Spectrum J-52-2354-48
Synonyms Formamide, N-[(1,3,4,7,8,9,10,10a-octahydro-8,8-dimethyl-10-oxobenzocycloocten-4a(2H)-yl)methyl]-, cis- ((4aR,10aS)-8,8-dimethyl-10-oxo-1,3,4,7,8,9,10,10a-octahydrobenzo[a]cycloocten-4a(2H)-yl)methylformamide cis-1-formylaminomethyl-5,5-dimethyl-bicyclo[6.4.0]dodecan-2-en-7-one
Wiley ID 1267074