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2-[(trifluoromethyl)thio]-1,5-pentanedioic acid dimethyl ester
SpectraBase Compound ID DQfKgs5M4nY
InChI InChI=1S/C8H11F3O4S/c1-14-6(12)4-3-5(7(13)15-2)16-8(9,10)11/h5H,3-4H2,1-2H3
InChIKey IYLZWWOLRXZOAP-UHFFFAOYSA-N
Mol Weight 260.23 g/mol
Molecular Formula C8H11F3O4S
Exact Mass 260.033014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XjiOszF2Gk
Name 2-[(trifluoromethyl)thio]-1,5-pentanedioic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.033014493 u
Formula C8H11F3O4S
InChI InChI=1S/C8H11F3O4S/c1-14-6(12)4-3-5(7(13)15-2)16-8(9,10)11/h5H,3-4H2,1-2H3
InChIKey IYLZWWOLRXZOAP-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 260.227 g/mol
Quality 163
SMILES C(CC(C(OC)=O)SC(F)(F)F)C(OC)=O
SPLASH splash10-003r-0950000000-bb1256b01f7916b098e9
Source of Spectrum QE-22-SM20-2m (DOI: 10.1002/chem.201602730)
Wiley ID 1905008