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

*Links on SpectraBase are not permalinks.
methyl 3-benzoyl-5-chloro-2-(4-fluorophenyl)pent-2-enoate
SpectraBase Compound ID 5o2D3ay8uIU
InChI InChI=1S/C19H16ClFO3/c1-24-19(23)17(13-7-9-15(21)10-8-13)16(11-12-20)18(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey STQWZJRFULMXNK-UHFFFAOYSA-N
Mol Weight 346.79 g/mol
Molecular Formula C19H16ClFO3
Exact Mass 346.0772 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 6UoueKhxEhm
Name methyl 3-benzoyl-5-chloro-2-(4-fluorophenyl)pent-2-enoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.077200235 u
Formula C19H16ClFO3
InChI InChI=1S/C19H16ClFO3/c1-24-19(23)17(13-7-9-15(21)10-8-13)16(11-12-20)18(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey STQWZJRFULMXNK-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611625
Molecular Weight 346.785 g/mol
Quality 185
Reported Formula C19H16O3F(35)Cl
SMILES C1=CC(=CC=C1F)C(=C(CCCl)C(C1=CC=CC=C1)=O)C(OC)=O
SPLASH splash10-056r-4976000000-b3d045635a36f9f679cf
Source of Spectrum ACI-56-SM17-5j (DOI: 10.1002/anie.201611625)
Wiley ID 1892920