For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[(C5H4CH2CH=CH2)Ni(Cl){1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene}]
SpectraBase Compound ID 9ZiHRtQtjhN
InChI InChI=1S/C21H25N2.C8H9.ClH.Ni/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-2-5-8-6-3-4-7-8;;/h7-13H,1-6H3;2-4,6-7H,1,5H2;1H;/q2*-1;;+3/p-1
InChIKey LKQJPCPMQFYUGP-UHFFFAOYSA-M
Mol Weight 504.75 g/mol
Molecular Formula C29H34ClN2Ni
Exact Mass 503.176394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID zM2oHvSspF
Name [(C5H4CH2CH=CH2)Ni(Cl){1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene}]
Alternate Name(s) Nickel(III) 1,3-dimesityl-2,3-dihydro-1H-imidazol-2-ide 2-allylcyclopenta-2,4-dien-1-ide chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34ClN2Ni
InChI InChI=1S/C21H25N2.C8H9.ClH.Ni/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-2-5-8-6-3-4-7-8;;/h7-13H,1-6H3;2-4,6-7H,1,5H2;1H;/q2*-1;;+3/p-1
InChIKey LKQJPCPMQFYUGP-UHFFFAOYSA-M
Literature Reference DOI 10.1002/ejic.200900843
Molecular Weight 504.751 g/mol
SMILES C1=CN([CH-]N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Cl-].[Ni+3].c1c[cH-]c(c1)CC=C
SPLASH splash10-0zfr-1109100000-36027ed1ca84198d8b64
Source of Spectrum U2-2010-653-4
Wiley ID 1788986