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3,3(8aH)-Indolizinedicarbonitrile, 7-benzoyl-
SpectraBase Compound ID 9aEdhTEQrWV
InChI InChI=1S/C17H11N3O/c18-11-17(12-19)8-6-15-10-14(7-9-20(15)17)16(21)13-4-2-1-3-5-13/h1-10,15H
InChIKey XWQAUGPZVWIQNK-UHFFFAOYSA-N
Mol Weight 273.29 g/mol
Molecular Formula C17H11N3O
Exact Mass 273.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIO16rfJ5J4
Name 3,3(8aH)-Indolizinedicarbonitrile, 7-benzoyl-
Alternate Name(s) 3,8a-dihydro-3,3-dicyano-7-benzoylindolizine 7-benzoyl-3,3(8aH)-indolizinedicarbonitrile
CAS Registry Number 113617-41-7
Comments Less than 3 mono-isotopic peaks
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Formula C17H11N3O
InChI InChI=1S/C17H11N3O/c18-11-17(12-19)8-6-15-10-14(7-9-20(15)17)16(21)13-4-2-1-3-5-13/h1-10,15H
InChIKey XWQAUGPZVWIQNK-UHFFFAOYSA-N
Molecular Weight 273.295 g/mol
SMILES C1(N2C(C=C1)C=C(C(=O)c1ccccc1)C=C2)(C#N)C#N
SPLASH splash10-00di-0090000000-db18c6c3223106b94a28
Source of Spectrum AJ-60-3651-6
Wiley ID 1277353