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[1,1'-bi(cyclohexane)]-1',2-diene-3-carbonitrile
SpectraBase Compound ID 3NjOYSCpnPF
InChI InChI=1S/C13H17N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h6,9,13H,1-5,7-8H2
InChIKey KQCMQGBOHMTXKJ-UHFFFAOYSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fh18x0LLi24
Name [1,1'-bi(cyclohexane)]-1',2-diene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N
InChI InChI=1S/C13H17N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h6,9,13H,1-5,7-8H2
InChIKey KQCMQGBOHMTXKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200194y
Molecular Weight 187.286 g/mol
SMILES C1CCC(C=C1C#N)C1=CCCCC1
SPLASH splash10-00dr-0900000000-0d4e3f80a7a76068948e
Source of Spectrum A1-13-1690/SMS32-12c
Wiley ID 1752931