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4-(1-imidazolylmethyl)-9-oxo-1-xanthenecarbonitrile

View entire compound with spectra: 1 MS (GC)

4-(1-imidazolylmethyl)-9-oxo-1-xanthenecarbonitrile
SpectraBase Compound ID JYsAjiHZV7A
InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2
InChIKey QNFMJFCMHIQSTD-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 4ZGPLIfvCTG
Name 4-(1-imidazolylmethyl)-9-oxo-1-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)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2
InChIKey QNFMJFCMHIQSTD-UHFFFAOYSA-N
Molecular Weight 301.305 g/mol
SMILES C1(c2c(ccc(c2Oc2ccccc12)C[n]1cncc1)C#N)=O
SPLASH splash10-00ku-9050000000-1eb6448ca71c2210da8c
Source of Spectrum F2-44-679-22
Synonyms 4-(imidazol-1-ylmethyl)-9-keto-xanthene-1-carbonitrile 4-(imidazol-1-ylmethyl)-9-oxidanylidene-xanthene-1-carbonitrile 4-(imidazol-1-ylmethyl)-9-oxo-xanthene-1-carbonitrile
Wiley ID 1639076