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1-(1-imidazolylmethyl)-9-oxo-4-xanthenecarbonitrile
SpectraBase Compound ID HgTPmcQCLqw
InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2
InChIKey ILCZWQUJENBNHZ-UHFFFAOYSA-N
Mol Weight 301.31 g/mol
Molecular Formula C18H11N3O2
Exact Mass 301.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElHYICAqhsO
Name 1-(1-imidazolylmethyl)-9-oxo-4-xanthenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11N3O2
InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2
InChIKey ILCZWQUJENBNHZ-UHFFFAOYSA-N
Molecular Weight 301.305 g/mol
SMILES C1(c2c(ccc(c2Oc2ccccc12)C#N)C[n]1cncc1)=O
SPLASH splash10-0002-4900000000-cf00990823099f826325
Source of Spectrum F2-44-679-22
Synonyms 1-(imidazol-1-ylmethyl)-9-keto-xanthene-4-carbonitrile 1-(imidazol-1-ylmethyl)-9-oxidanylidene-xanthene-4-carbonitrile 1-(imidazol-1-ylmethyl)-9-oxo-xanthene-4-carbonitrile
Wiley ID 1639073