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5-METHYL-4,6-DIOXO-7-PHENYL-1-AZAADAMANTAN-3-CARBONITRILE
SpectraBase Compound ID 3xcO2hciwLf
InChI InChI=1S/C17H16N2O2/c1-15-9-19-10-16(8-18,13(15)20)7-17(11-19,14(15)21)12-5-3-2-4-6-12/h2-6H,7,9-11H2,1H3/t15-,16-,17-/m0/s1
InChIKey IPXTUUPEVGDZJY-ULQDDVLXSA-N
Mol Weight 280.33 g/mol
Molecular Formula C17H16N2O2
Exact Mass 280.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30z6ymjukFO
Name 5-Methyl-7-phenyl-4,6-dioxo-1-azaadamantane-3-carbonitrile
CAS Registry Number 137628-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O2
InChI InChI=1S/C17H16N2O2/c1-15-9-19-10-16(8-18,13(15)20)7-17(11-19,14(15)21)12-5-3-2-4-6-12/h2-6H,7,9-11H2,1H3/t15-,16-,17-/m0/s1
InChIKey IPXTUUPEVGDZJY-ULQDDVLXSA-N
Molecular Weight 280.327 g/mol
SMILES [C@@]12(C([C@]3(c4ccccc4)CN(C1)C[C@](C2=O)(C3)C#N)=O)C
SPLASH splash10-0f89-2490000000-2afd09d67e31060d37c2
Source of Spectrum K-125-462-2
Synonyms 5-Methyl-4,6-dioxo-7-phenyl-1-azatricyclo[3.3.1.1(3,7)]decane-3-carbonitrile
Wiley ID 1284118