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1-[(1S,2S)-2-(o-tolyl)cyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID Dtk0H3diZFN
InChI InChI=1S/C17H21N/c1-13-7-3-4-8-14(13)15-11-16(15)17(12-18)9-5-2-6-10-17/h3-4,7-8,15-16H,2,5-6,9-11H2,1H3/t15-,16+/m1/s1
InChIKey MPOWYAXXYYIGHB-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 IIgm7vihGHi
Name 1-[(1S,2S)-2-(o-tolyl)cyclopropyl]cyclohexanecarbonitrile
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Exact Mass 239.167399680 u
Formula C17H21N
InChI InChI=1S/C17H21N/c1-13-7-3-4-8-14(13)15-11-16(15)17(12-18)9-5-2-6-10-17/h3-4,7-8,15-16H,2,5-6,9-11H2,1H3/t15-,16+/m1/s1
InChIKey MPOWYAXXYYIGHB-CVEARBPZSA-N
Ionization Type EI
Molecular Weight 239.362 g/mol
Quality 201
Reported Formula C17H21N
SMILES C1([C@@]2([C@](C2)(C2=C(C=CC=C2)C)[H])[H])(CCCCC1)C#N
SPLASH splash10-001i-1900000000-7e47bee0f9b818d68b47
Source of Spectrum CN111362832B
Wiley ID 1894753