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1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID 7zc3Pg7YRMP
InChI InChI=1S/C16H18ClN/c17-13-6-4-12(5-7-13)14-10-15(14)16(11-18)8-2-1-3-9-16/h4-7,14-15H,1-3,8-10H2/t14-,15+/m1/s1
InChIKey SNFHGAIFTCPHSP-CABCVRRESA-N
Mol Weight 259.78 g/mol
Molecular Formula C16H18ClN
Exact Mass 259.112777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxDLIEoh5lK
Name 1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]cyclohexanecarbonitrile
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Exact Mass 259.112777284 u
Formula C16H18ClN
InChI InChI=1S/C16H18ClN/c17-13-6-4-12(5-7-13)14-10-15(14)16(11-18)8-2-1-3-9-16/h4-7,14-15H,1-3,8-10H2/t14-,15+/m1/s1
InChIKey SNFHGAIFTCPHSP-CABCVRRESA-N
Ionization Type EI
Quality 171
Reported Formula C16H18NCl
SMILES C1([C@@]2([C@](C2)(C2=CC=C(C=C2)Cl)[H])[H])(CCCCC1)C#N
SPLASH splash10-0udi-0910000000-6e649025fb8e9679b195
Source of Spectrum CN111362832B
Wiley ID 1894751