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1-[(1S,2S)-2-(m-tolyl)cyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID CpiAzANFpSU
InChI InChI=1S/C17H21N/c1-13-6-5-7-14(10-13)15-11-16(15)17(12-18)8-3-2-4-9-17/h5-7,10,15-16H,2-4,8-9,11H2,1H3/t15-,16+/m1/s1
InChIKey WPLGGHNLFBJKML-CVEARBPZSA-N
Mol Weight 239.36 g/mol
Molecular Formula C17H21N
Exact Mass 239.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DninIUxZbvu
Name 1-[(1S,2S)-2-(m-tolyl)cyclopropyl]cyclohexanecarbonitrile
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Exact Mass 239.167399680 u
Formula C17H21N
InChI InChI=1S/C17H21N/c1-13-6-5-7-14(10-13)15-11-16(15)17(12-18)8-3-2-4-9-17/h5-7,10,15-16H,2-4,8-9,11H2,1H3/t15-,16+/m1/s1
InChIKey WPLGGHNLFBJKML-CVEARBPZSA-N
Ionization Type EI
Molecular Weight 239.362 g/mol
Quality 183
Reported Formula C17H21N
SMILES C1([C@@]2([C@](C2)(C2=CC=CC(=C2)C)[H])[H])(CCCCC1)C#N
SPLASH splash10-001i-1900000000-a1677ed4b579dc6ea6a5
Source of Spectrum CN111362832B
Wiley ID 1894755