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

*Links on SpectraBase are not permalinks.
1-[1-(difluoromethyl)but-3-enylsulfanyl]-4-nitro-benzene
SpectraBase Compound ID 7IR2RbjLnSq
InChI InChI=1S/C11H11F2NO2S/c1-2-3-10(11(12)13)17-9-6-4-8(5-7-9)14(15)16/h2,4-7,10-11H,1,3H2
InChIKey RLCDJOUVBYIWBF-UHFFFAOYSA-N
Mol Weight 259.27 g/mol
Molecular Formula C11H11F2NO2S
Exact Mass 259.047856 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 29kPxqVTsKq
Name 1-[1-(difluoromethyl)but-3-enylsulfanyl]-4-nitro-benzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11F2NO2S
InChI InChI=1S/C11H11F2NO2S/c1-2-3-10(11(12)13)17-9-6-4-8(5-7-9)14(15)16/h2,4-7,10-11H,1,3H2
InChIKey RLCDJOUVBYIWBF-UHFFFAOYSA-N
Instrument Name TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000119
Molecular Weight 259.271 g/mol
SMILES c1(ccc(cc1)SC(CC=C)C(F)F)[N+](=O)[O-]
SPLASH splash10-00xr-0790000000-954949536473c34c749c
Source of Spectrum ACI-59-SM60-6d
Wiley ID 1857722