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3-Phenyl-2,3,5,6,7,8-hexahydronaphthalene-2-carbonitrile
SpectraBase Compound ID BrQtlKPn7wU
InChI InChI=1S/C17H17N/c18-12-16-10-14-8-4-5-9-15(14)11-17(16)13-6-2-1-3-7-13/h1-3,6-7,10-11,16-17H,4-5,8-9H2
InChIKey MGLNUQIEYUVNCO-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C17H17N
Exact Mass 235.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zssExRfhdX
Name 3-Phenyl-2,3,5,6,7,8-hexahydronaphthalene-2-carbonitrile
Comments Removed - expert review: contamination (CDCl3); A corrected record has been addded having SpectrumID: 1821314
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N
InChI InChI=1S/C17H17N/c18-12-16-10-14-8-4-5-9-15(14)11-17(16)13-6-2-1-3-7-13/h1-3,6-7,10-11,16-17H,4-5,8-9H2
InChIKey MGLNUQIEYUVNCO-UHFFFAOYSA-N
Molecular Weight 235.330 g/mol
SMILES C=1C(C(C=C2CCCCC12)c1ccccc1)C#N
SPLASH splash10-001i-9100000000-eae65ae148976c98e6e6
Source of Spectrum U1-1998-1533-27
Wiley ID 751412