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

*Links on SpectraBase are not permalinks.
methyl 2-acetamido-3-(2-bromo-2-chloro-1,1-difluoro-ethyl)sulfanyl-propanoate
SpectraBase Compound ID 1beXuFcR2Qg
InChI InChI=1S/C8H11BrClF2NO3S/c1-4(14)13-5(6(15)16-2)3-17-8(11,12)7(9)10/h5,7H,3H2,1-2H3,(H,13,14)
InChIKey HLKOTDPKQDYIFL-UHFFFAOYSA-N
Mol Weight 354.59 g/mol
Molecular Formula C8H11BrClF2NO3S
Exact Mass 352.929961 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 ImkkGDnCcRi
Name methyl 2-acetamido-3-(2-bromo-2-chloro-1,1-difluoro-ethyl)sulfanyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.929961415 u
Formula C8H11BrClF2NO3S
InChI InChI=1S/C8H11BrClF2NO3S/c1-4(14)13-5(6(15)16-2)3-17-8(11,12)7(9)10/h5,7H,3H2,1-2H3,(H,13,14)
InChIKey HLKOTDPKQDYIFL-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200600322
Molecular Weight 354.594 g/mol
Quality 993
SMILES N(C(CSC(C(Br)Cl)(F)F)C(=O)OC)C(C)=O
SPLASH splash10-002o-8920000000-283e5474d875e2c59157
Source of Spectrum SEP-30-156-Figure 4-D (DOI: 10.1002/jssc.200600322)
Wiley ID 1909606