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1-(3-Phenylpropyl)cyclohexanecarbonitrile
SpectraBase Compound ID HTG2TNjR1fF
InChI InChI=1S/C16H21N/c17-14-16(11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-13H2
InChIKey JIWANTRLUUIQOF-UHFFFAOYSA-N
Mol Weight 227.35 g/mol
Molecular Formula C16H21N
Exact Mass 227.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ijZjWmlng4
Name 1-(3-Phenylpropyl)cyclohexanecarbonitrile
Alternate Name(s) 1-(3-phenylpropyl)-1-cyclohexanecarbonitrile
CAS Registry Number 127208-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N
InChI InChI=1S/C16H21N/c17-14-16(11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-13H2
InChIKey JIWANTRLUUIQOF-UHFFFAOYSA-N
Molecular Weight 227.351 g/mol
SMILES C(#N)C1(CCCc2ccccc2)CCCCC1
SPLASH splash10-00dl-6940000000-a1c40dc243bc07ce4faf
Source of Spectrum J-55-4207-26
Wiley ID 1228919