For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-1,1,1-Trichloro-4-(N-1-propyn-3-yl-4-tolyl-amino)-pent-3-en-2-one
SpectraBase Compound ID IiCf4X9Q6Ox
InChI InChI=1S/C15H14Cl3NO/c1-4-9-19(13-7-5-11(2)6-8-13)12(3)10-14(20)15(16,17)18/h1,5-8,10H,9H2,2-3H3/b12-10+
InChIKey QBOCUJJDGPTTSH-ZRDIBKRKSA-N
Mol Weight 330.64 g/mol
Molecular Formula C15H14Cl3NO
Exact Mass 329.014097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JwJk57mnBFA
Name (E)-1,1,1-Trichloro-4-(N-1-propyn-3-yl-4-tolyl-amino)-pent-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14Cl3NO
InChI InChI=1S/C15H14Cl3NO/c1-4-9-19(13-7-5-11(2)6-8-13)12(3)10-14(20)15(16,17)18/h1,5-8,10H,9H2,2-3H3/b12-10+
InChIKey QBOCUJJDGPTTSH-ZRDIBKRKSA-N
Instrument Name Agilent 6890N-G1530CN GC
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.902
Molecular Weight 330.642 g/mol
SMILES C(C(\C=C/(C)N(c1ccc(cc1)C)CC#C)=O)(Cl)(Cl)Cl
SPLASH splash10-03di-0091000000-2fb29d8c028e98c15788
Source of Spectrum ARK-2010-SM8-9a
Wiley ID 1869997