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

*Links on SpectraBase are not permalinks.
N-[1-(4-Methoxyphenyl)-2-chloroethyl]-S,S-methylphenylsulfoximine
SpectraBase Compound ID ACE2bnbmbBc
InChI InChI=1S/C16H18ClNO2S/c1-20-14-10-8-13(9-11-14)16(12-17)18-21(2,19)15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3
InChIKey BQARQAMLLPYRJF-UHFFFAOYSA-N
Mol Weight 323.84 g/mol
Molecular Formula C16H18ClNO2S
Exact Mass 323.074678 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 G7rLVC7Tjg5
Name N-[1-(4-Methoxyphenyl)-2-chloroethyl]-S,S-methylphenylsulfoximine
Appearance Colorless viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.074677696 u
Formula C16H18ClNO2S
InChI InChI=1S/C16H18ClNO2S/c1-20-14-10-8-13(9-11-14)16(12-17)18-21(2,19)15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3
InChIKey BQARQAMLLPYRJF-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 323.838 g/mol
Quality 108
Reported Formula C16H18ClNO2S
SMILES C=1C(OC)=CC=C(C(CCl)N=S(C=2C=CC=CC2)(=O)C)C1
SPLASH splash10-00di-0590000000-e611092826cfb9b1380f
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM8-3s (DOI: 10.1002/anie.201801660)
Wiley ID 1890891