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N-Benzyl-N-(chlorocarbonyl)-4-ethynylaniline
SpectraBase Compound ID 3qWNOAdmKX
InChI InChI=1S/C16H12ClNO/c1-2-13-8-10-15(11-9-13)18(16(17)19)12-14-6-4-3-5-7-14/h1,3-11H,12H2
InChIKey XKBNBIBFYHTHCK-UHFFFAOYSA-N
Mol Weight 269.73 g/mol
Molecular Formula C16H12ClNO
Exact Mass 269.060742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5p1Wxoo4mdo
Name N-Benzyl-N-(chlorocarbonyl)-4-ethynylaniline
Alternate Name(s) 1-[benzyl(chlorocarbonyl)amino]-4-ethynylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClNO
InChI InChI=1S/C16H12ClNO/c1-2-13-8-10-15(11-9-13)18(16(17)19)12-14-6-4-3-5-7-14/h1,3-11H,12H2
InChIKey XKBNBIBFYHTHCK-UHFFFAOYSA-N
Molecular Weight 269.731 g/mol
SMILES C(N(c1ccc(C#C)cc1)Cc1ccccc1)(=O)Cl
SPLASH splash10-0006-9410000000-24d4ed698736c1e6afed
Source of Spectrum F9-1990-1093-0
Wiley ID 1566184