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3-[(4S)-2-keto-4-phenyl-1,5-diazonan-1-yl]propionitrile
SpectraBase Compound ID AVh1v2wZEPN
InChI InChI=1S/C16H21N3O/c17-9-6-12-19-11-5-4-10-18-15(13-16(19)20)14-7-2-1-3-8-14/h1-3,7-8,15,18H,4-6,10-13H2/t15-/m0/s1
InChIKey PPKCINMWZAHTDN-HNNXBMFYSA-N
Mol Weight 271.36 g/mol
Molecular Formula C16H21N3O
Exact Mass 271.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgUmA4Zk8pA
Name 3-[(4S)-2-keto-4-phenyl-1,5-diazonan-1-yl]propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O
InChI InChI=1S/C16H21N3O/c17-9-6-12-19-11-5-4-10-18-15(13-16(19)20)14-7-2-1-3-8-14/h1-3,7-8,15,18H,4-6,10-13H2/t15-/m0/s1
InChIKey PPKCINMWZAHTDN-HNNXBMFYSA-N
Molecular Weight 271.364 g/mol
SMILES N1CCCCN(C(C[C@]1(c1ccccc1)[H])=O)CCC#N
SPLASH splash10-0q31-0910000000-05bfe4713a9dd261cdc4
Source of Spectrum K-2001-2928-12
Synonyms 3-[(4S)-2-oxidanylidene-4-phenyl-1,5-diazonan-1-yl]propanenitrile 3-[(4S)-2-oxo-4-phenyl-1,5-diazonan-1-yl]propanenitrile
Wiley ID 1579991