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1H-Imidazole-2-propanenitrile, 1-(methoxymethyl)-.alpha.,.alpha.-bis[[1-(methoxymethyl)-1H-imidazol-2-yl]methyl]-
SpectraBase Compound ID 7rOo41gPgoN
InChI InChI=1S/C20H27N7O3/c1-28-14-25-7-4-22-17(25)10-20(13-21,11-18-23-5-8-26(18)15-29-2)12-19-24-6-9-27(19)16-30-3/h4-9H,10-12,14-16H2,1-3H3
InChIKey DZDYYEFSSIQORT-UHFFFAOYSA-N
Mol Weight 413.48 g/mol
Molecular Formula C20H27N7O3
Exact Mass 413.217538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SPs2AiEGkc
Name 1H-Imidazole-2-propanenitrile, 1-(methoxymethyl)-.alpha.,.alpha.-bis[[1-(methoxymethyl)-1H-imidazol-2-yl]methyl]-
Alternate Name(s) 3-[1-(methoxymethyl)-1H-imidazol-2-yl]-2,2-bis{[1-(methoxymethyl)-1H-imidazol-2-yl]methyl}propanenitrile Tris[[1-(methoxymethyl)-2-imidazolyl]methyl]acetonitrile
CAS Registry Number 119336-44-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N7O3
InChI InChI=1S/C20H27N7O3/c1-28-14-25-7-4-22-17(25)10-20(13-21,11-18-23-5-8-26(18)15-29-2)12-19-24-6-9-27(19)16-30-3/h4-9H,10-12,14-16H2,1-3H3
InChIKey DZDYYEFSSIQORT-UHFFFAOYSA-N
Molecular Weight 413.482 g/mol
SMILES c1([n](ccn1)COC)CC(C#N)(Cc1[n](ccn1)COC)Cc1[n](ccn1)COC
SPLASH splash10-000i-0090000000-d5e753a6d4b2cf4c39e2
Source of Spectrum J-54-1441-17
Wiley ID 1374971