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2-[(5R,6S)-6-Butyl-5-(2-propynyl)-1,3-cyclohexadien-1-yl]-4,5-dihydro-4,4-dimethyloxazole

View entire compound with spectra: 1 MS (GC)

2-[(5R,6S)-6-Butyl-5-(2-propynyl)-1,3-cyclohexadien-1-yl]-4,5-dihydro-4,4-dimethyloxazole
SpectraBase Compound ID E7zJvwUOx81
InChI InChI=1S/C18H25NO/c1-5-7-11-15-14(9-6-2)10-8-12-16(15)17-19-18(3,4)13-20-17/h2,8,10,12,14-15H,5,7,9,11,13H2,1,3-4H3/t14-,15+/m1/s1
InChIKey CFNXTYVBICFNEY-CABCVRRESA-N
Mol Weight 271.4 g/mol
Molecular Formula C18H25NO
Exact Mass 271.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mHwYplYSu
Name 2-[(5R,6S)-6-Butyl-5-(2-propynyl)-1,3-cyclohexadien-1-yl]-4,5-dihydro-4,4-dimethyloxazole
Alternate Name(s) trans-2-[6-Butyl-5-(2-propynyl)-1,3-cyclohexadien-1-yl)-4,5-dihydro-4,4-dimethyloxazole 2-(5-(2-propynyl)-6-butyl-1,3-cyclohexadien-1-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
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Formula C18H25NO
InChI InChI=1S/C18H25NO/c1-5-7-11-15-14(9-6-2)10-8-12-16(15)17-19-18(3,4)13-20-17/h2,8,10,12,14-15H,5,7,9,11,13H2,1,3-4H3/t14-,15+/m1/s1
InChIKey CFNXTYVBICFNEY-CABCVRRESA-N
Molecular Weight 271.404 g/mol
SMILES C1(=NC(C)(C)CO1)C=1[C@]([C@](CC#C)(C=CC1)[H])(CCCC)[H]
SPLASH splash10-06w9-0980000000-83d0ff1b1d833a938a12
Source of Spectrum J-59-4781-7k
Wiley ID 1275513