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2-Acetylamino-3,3,3-trifluoro-2-(6-methyl-benzothiazol-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID JdzqGh9NIbs
InChI InChI=1S/C14H14F3N3O3S/c1-7-4-5-9-10(6-7)24-12(18-9)20-13(11(22)23-3,14(15,16)17)19-8(2)21/h4-6H,1-3H3,(H,18,20)(H,19,21)
InChIKey CMEKODSTGXFTTR-UHFFFAOYSA-N
Mol Weight 361.34 g/mol
Molecular Formula C14H14F3N3O3S
Exact Mass 361.070797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABAFFveiGAB
Name 2-Acetylamino-3,3,3-trifluoro-2-(6-methyl-benzothiazol-2-ylamino)-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14F3N3O3S
InChI InChI=1S/C14H14F3N3O3S/c1-7-4-5-9-10(6-7)24-12(18-9)20-13(11(22)23-3,14(15,16)17)19-8(2)21/h4-6H,1-3H3,(H,18,20)(H,19,21)
InChIKey CMEKODSTGXFTTR-UHFFFAOYSA-N
Molecular Weight 361.339 g/mol
SMILES N(c1nc2ccc(cc2s1)C)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-0ikc-7924000000-d2a4771443e5c76e6352
Synonyms 2-Acetamido-3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester 2-Acetamido-3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester Methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-acetamido-3,3,3-tris(fluoranyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanoate
Wiley ID 1462160