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Cis-Ethyl 1-(n-butyl)-3,4-dicyanopyrrolidine-2-carboxylate
SpectraBase Compound ID 2oQayB8opW3
InChI InChI=1S/C13H19N3O2/c1-3-5-6-16-9-10(7-14)11(8-15)12(16)13(17)18-4-2/h10-12H,3-6,9H2,1-2H3
InChIKey AOBZSKYTJSXHJK-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C13H19N3O2
Exact Mass 249.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CkmjB7TSjS
Name Cis-Ethyl 1-(n-butyl)-3,4-dicyanopyrrolidine-2-carboxylate
Appearance Colourless oil
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Exact Mass 249.147726862 u
Formula C13H19N3O2
InChI InChI=1S/C13H19N3O2/c1-3-5-6-16-9-10(7-14)11(8-15)12(16)13(17)18-4-2/h10-12H,3-6,9H2,1-2H3
InChIKey AOBZSKYTJSXHJK-UHFFFAOYSA-N
Instrument Name FISONS INSTRUMENTS TRIO 1000
Ionization Type EI positive ion
Literature Reference DOI 10.3998/ark.5550190.0002.517
Molecular Weight 249.314 g/mol
Quality 303
SMILES C(C)OC(=O)C1N(CC(C1C#N)C#N)CCCC
SPLASH splash10-05dj-5940000000-cfe91244c2401ee389a0
Sample Comments 2,3-Cis isomer
Source of Spectrum ARK-2001-161-Cis-4c (DOI: 10.3998/ark.5550190.0002.517)
Wiley ID 1908768