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1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID Inx1OlWHxEg
InChI InChI=1S/C17H21NO/c1-19-14-7-5-13(6-8-14)15-11-16(15)17(12-18)9-3-2-4-10-17/h5-8,15-16H,2-4,9-11H2,1H3/t15-,16+/m0/s1
InChIKey XAJYEGRZIAZVSJ-JKSUJKDBSA-N
Mol Weight 255.36 g/mol
Molecular Formula C17H21NO
Exact Mass 255.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NcPyfNbwib
Name 1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]cyclohexanecarbonitrile
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Exact Mass 255.162314299 u
Formula C17H21NO
InChI InChI=1S/C17H21NO/c1-19-14-7-5-13(6-8-14)15-11-16(15)17(12-18)9-3-2-4-10-17/h5-8,15-16H,2-4,9-11H2,1H3/t15-,16+/m0/s1
InChIKey XAJYEGRZIAZVSJ-JKSUJKDBSA-N
Ionization Type EI
Molecular Weight 255.361 g/mol
Quality 206
Reported Formula C17H21NO
SMILES C1([C@]2([C@@](C2)(C2=CC=C(C=C2)OC)[H])[H])(CCCCC1)C#N
SPLASH splash10-014i-1910000000-d2ca5bbca5d0d6fe0a1f
Source of Spectrum CN111362832B
Wiley ID 1894821