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3-(1H-imidazol-1-yl)cyclohexane-1,2-dione
SpectraBase Compound ID LxzEskJImQj
InChI InChI=1S/C9H10N2O2/c12-8-3-1-2-7(9(8)13)11-5-4-10-6-11/h4-7H,1-3H2
InChIKey XLTPYQQFISGBPN-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C9H10N2O2
Exact Mass 178.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoZUy6DaBYY
Name 3-(1H-imidazol-1-yl)cyclohexane-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N2O2
InChI InChI=1S/C9H10N2O2/c12-8-3-1-2-7(9(8)13)11-5-4-10-6-11/h4-7H,1-3H2
InChIKey XLTPYQQFISGBPN-UHFFFAOYSA-N
Molecular Weight 178.191 g/mol
SMILES C1(=O)CCCC(C1=O)[n]1ccnc1
SPLASH splash10-0fbc-9400000000-90e8a72b9089e6dcfc3f
Source of Spectrum JX-2012-729
Synonyms 3-(1-imidazolyl)cyclohexane-1,2-dione 3-imidazol-1-ylcyclohexane-1,2-dione
Wiley ID 1661175