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2-isopropyl-1H-imidazole-4,5-dicarbonitrile
SpectraBase Compound ID 90pb8TlvWI2
InChI InChI=1S/C8H8N4/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5H,1-2H3,(H,11,12)
InChIKey KJKRFCJIBADVJQ-UHFFFAOYSA-N
Mol Weight 160.18 g/mol
Molecular Formula C8H8N4
Exact Mass 160.074896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtrBvyHwXfL
Name 2-isopropyl-1H-imidazole-4,5-dicarbonitrile
CAS Registry Number 52685-70-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N4
InChI InChI=1S/C8H8N4/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5H,1-2H3,(H,11,12)
InChIKey KJKRFCJIBADVJQ-UHFFFAOYSA-N
Molecular Weight 160.180 g/mol
SMILES [nH]1c(c(nc1C(C)C)C#N)C#N
SPLASH splash10-0002-0900000000-49cf8021bc05ba01d515
Source of Spectrum J-41-632-0
Synonyms 2-propan-2-yl-1H-imidazole-4,5-dicarbonitrile
Wiley ID 1156672