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5-(3-Chloro-1H-indol-2-yl)-7-oxo-3,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SpectraBase Compound ID 4iHSbpBIqc9
InChI InChI=1S/C14H7ClN6O/c15-10-7-3-1-2-4-9(7)19-12(10)11-8(5-16)13(22)21-14(20-11)17-6-18-21/h1-4,6,19H,(H,17,18,20)
InChIKey UFJSAWYDOAZFEP-UHFFFAOYSA-N
Mol Weight 310.7 g/mol
Molecular Formula C14H7ClN6O
Exact Mass 310.036987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95zEMnT9CBV
Name 5-(3-Chloro-1H-indol-2-yl)-7-oxo-3,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7ClN6O
InChI InChI=1S/C14H7ClN6O/c15-10-7-3-1-2-4-9(7)19-12(10)11-8(5-16)13(22)21-14(20-11)17-6-18-21/h1-4,6,19H,(H,17,18,20)
InChIKey UFJSAWYDOAZFEP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201800115
Molecular Weight 310.704 g/mol
SMILES [nH]1c(C2=C(C(N3C(=N2)NC=N3)=O)C#N)c(c2ccccc12)Cl
SPLASH splash10-03k9-3459000000-cc7a10e268a5d57adb35
Source of Spectrum QA-66-SM20-12
Wiley ID 1814329