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3-(4-(Cyanomethyl)-2-[(dimethylamino)methyl]-1H-pyrrol-3-yl)propanenitrile
SpectraBase Compound ID 8kQT0YDQISC
InChI InChI=1S/C12H16N4/c1-16(2)9-12-11(4-3-6-13)10(5-7-14)8-15-12/h8,15H,3-5,9H2,1-2H3
InChIKey FEMBHTFYTFQNHC-UHFFFAOYSA-N
Mol Weight 216.29 g/mol
Molecular Formula C12H16N4
Exact Mass 216.137497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8efGIZrOzH
Name 3-(4-(Cyanomethyl)-2-[(dimethylamino)methyl]-1H-pyrrol-3-yl)propanenitrile
Alternate Name(s) 3-[4-(cyanomethyl)-2-[(dimethylamino)methyl]-1H-pyrrol-3-yl]propanenitrile
CAS Registry Number 106491-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4
InChI InChI=1S/C12H16N4/c1-16(2)9-12-11(4-3-6-13)10(5-7-14)8-15-12/h8,15H,3-5,9H2,1-2H3
InChIKey FEMBHTFYTFQNHC-UHFFFAOYSA-N
Molecular Weight 216.288 g/mol
SMILES [nH]1c(c(c(c1)CC#N)CCC#N)CN(C)C
SPLASH splash10-008d-9800000000-9a7268b0ef5a59abb720
Wiley ID 1484788