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

*Links on SpectraBase are not permalinks.
3-(4-tert-butylphenyl)-1-(5-chloropyridin-2-yl)prop-2-en-1-one
SpectraBase Compound ID 9iE6iadKNsA
InChI InChI=1S/C18H18ClNO/c1-18(2,3)14-7-4-13(5-8-14)6-11-17(21)16-10-9-15(19)12-20-16/h4-12H,1-3H3
InChIKey QOZZNFTZQONPMD-UHFFFAOYSA-N
Mol Weight 299.8 g/mol
Molecular Formula C18H18ClNO
Exact Mass 299.107692 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 HuGejeTg916
Name 3-(4-tert-butylphenyl)-1-(5-chloropyridin-2-yl)prop-2-en-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClNO
InChI InChI=1S/C18H18ClNO/c1-18(2,3)14-7-4-13(5-8-14)6-11-17(21)16-10-9-15(19)12-20-16/h4-12H,1-3H3
InChIKey QOZZNFTZQONPMD-UHFFFAOYSA-N
Instrument Name Agilent 6850-5975C
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202000148
Molecular Weight 299.801 g/mol
SMILES C(=O)(C=Cc1ccc(C(C)(C)C)cc1)c1ncc(cc1)Cl
SPLASH splash10-0f7n-1591000000-02bbfb0cbf597bdb5279
Source of Spectrum CCC-12-SM24-4f
Wiley ID 1839902