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[2-Thioxo-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-4-ylmethylsulfanyl]-acetic acid methyl ester
SpectraBase Compound ID CaAqUVWhdH2
InChI InChI=1S/C14H12F3NO2S3/c1-20-12(19)8-22-6-11-7-23-13(21)18(11)10-4-2-3-9(5-10)14(15,16)17/h2-5,7H,6,8H2,1H3
InChIKey YEQARUKZVHFBJD-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C14H12F3NO2S3
Exact Mass 378.998227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdO9FAh1qaW
Name [2-Thioxo-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-4-ylmethylsulfanyl]-acetic acid methyl ester
Alternate Name(s) Methyl 2-(((2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydrothiazol-4-yl)methyl)thio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F3NO2S3
InChI InChI=1S/C14H12F3NO2S3/c1-20-12(19)8-22-6-11-7-23-13(21)18(11)10-4-2-3-9(5-10)14(15,16)17/h2-5,7H,6,8H2,1H3
InChIKey YEQARUKZVHFBJD-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200004)342_4_355
Molecular Weight 379.430 g/mol
SMILES c1(N2C(SC=C2CSCC(OC)=O)=S)cc(ccc1)C(F)(F)F
SPLASH splash10-00fs-5169000000-59e45b71df6915c0a1cd
Source of Spectrum JF-342-366-8k
Wiley ID 1766971