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(1S,2R,3R)-1,2-Dicyano-3-(N-propionyl-N-isopropylamino)cyclohex-4-ene
SpectraBase Compound ID 9QuPCVPn5vx
InChI InChI=1S/C14H19N3O/c1-4-14(18)17(10(2)3)13-7-5-6-11(8-15)12(13)9-16/h5,7,10-13H,4,6H2,1-3H3/t11-,12-,13-/m1/s1
InChIKey UWPDPGGJSSLNQM-JHJVBQTASA-N
Mol Weight 245.33 g/mol
Molecular Formula C14H19N3O
Exact Mass 245.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JniAoNrpClT
Name (1S,2R,3R)-1,2-Dicyano-3-(N-propionyl-N-isopropylamino)cyclohex-4-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19N3O
InChI InChI=1S/C14H19N3O/c1-4-14(18)17(10(2)3)13-7-5-6-11(8-15)12(13)9-16/h5,7,10-13H,4,6H2,1-3H3/t11-,12-,13-/m1/s1
InChIKey UWPDPGGJSSLNQM-JHJVBQTASA-N
Molecular Weight 245.326 g/mol
SMILES [C@]1([C@](C#N)([C@@](C#N)(CC=C1)[H])[H])(N(C(=O)CC)C(C)C)[H]
SPLASH splash10-0a4i-9620000000-b16498e529dbbafa19ab
Source of Spectrum F-52-11654-18
Synonyms (1RS,2RS,3RS)-1,2-Dinitro-3-(N-propionyl-N-isopropylamino)cyclohex-4-ene (1S,2R,3R)-1,2-Dicycno-3-(N-propionyl-N-isopropylamino)cyclohex-4-ene N-[(1R,5S,6R)-5,6-dicyano-2-cyclohexen-1-yl]-N-isopropylpropanamide
Wiley ID 798727