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Bicyclo[1.1.1]pentane, bimol. deriv.
SpectraBase Compound ID 9R4CInKUUFU
InChI InChI=1S/C16H20N2/c17-5-1-3-13-7-15(8-13,9-13)16-10-14(11-16,12-16)4-2-6-18/h1-4,7-12H2
InChIKey HFTHEJURUUFMFQ-UHFFFAOYSA-N
Mol Weight 240.35 g/mol
Molecular Formula C16H20N2
Exact Mass 240.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gNH9HXuptF
Name Bicyclo[1.1.1]pentane, bimol. deriv.
Alternate Name(s) [1,1'-Bibicyclo[1.1.1]pentane]-3,3'-dipropanenitrile 3-{3-[3-(2-cyanoethyl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentan-1-yl}propanenitrile [2]staffane-3,3'-dipropionitrile
CAS Registry Number 131543-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2
InChI InChI=1S/C16H20N2/c17-5-1-3-13-7-15(8-13,9-13)16-10-14(11-16,12-16)4-2-6-18/h1-4,7-12H2
InChIKey HFTHEJURUUFMFQ-UHFFFAOYSA-N
Molecular Weight 240.350 g/mol
SMILES C12(C34CC(C4)(CCC#N)C3)CC(C1)(CCC#N)C2
SPLASH splash10-0a6u-9700000000-ea47b9efc689132b5b6d
Source of Spectrum J-56-315-0
Wiley ID 1243606