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4-Oxo-1-(pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carbonitrile

View entire compound with spectra: 1 MS (GC)

4-Oxo-1-(pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carbonitrile
SpectraBase Compound ID H9SRuFV4Rkg
InChI InChI=1S/C13H10N4O/c14-8-9-7-10-11(3-1-4-12(10)18)17(9)13-15-5-2-6-16-13/h2,5-7H,1,3-4H2
InChIKey YYUDKJVWFJIFQV-UHFFFAOYSA-N
Mol Weight 238.25 g/mol
Molecular Formula C13H10N4O
Exact Mass 238.085461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWu357UrauF
Name 4-Oxo-1-(pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N4O
InChI InChI=1S/C13H10N4O/c14-8-9-7-10-11(3-1-4-12(10)18)17(9)13-15-5-2-6-16-13/h2,5-7H,1,3-4H2
InChIKey YYUDKJVWFJIFQV-UHFFFAOYSA-N
Molecular Weight 238.250 g/mol
SMILES c1ccnc(n1)-[n]1c2c(cc1C#N)C(CCC2)=O
SPLASH splash10-001r-0890000000-2bff6a18cabdb19eabb7
Source of Spectrum ACI-54-3635/SMS15-5h
Wiley ID 1760386