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Propanoic acid, 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-methoxycarbonylamino-, methyl ester
SpectraBase Compound ID hnZRXBMhW0
InChI InChI=1S/C13H12F3N3O4S/c1-22-9(20)12(13(14,15)16,19-11(21)23-2)18-10-17-7-5-3-4-6-8(7)24-10/h3-6H,1-2H3,(H,17,18)(H,19,21)
InChIKey TZGVPSXCAKFOGS-UHFFFAOYSA-N
Mol Weight 363.31 g/mol
Molecular Formula C13H12F3N3O4S
Exact Mass 363.050062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Iew0SzmWlR
Name Propanoic acid, 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-methoxycarbonylamino-, methyl ester
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Formula C13H12F3N3O4S
InChI InChI=1S/C13H12F3N3O4S/c1-22-9(20)12(13(14,15)16,19-11(21)23-2)18-10-17-7-5-3-4-6-8(7)24-10/h3-6H,1-2H3,(H,17,18)(H,19,21)
InChIKey TZGVPSXCAKFOGS-UHFFFAOYSA-N
Molecular Weight 363.311 g/mol
SMILES N(c1nc2ccccc2s1)C(NC(=O)OC)(C(F)(F)F)C(=O)OC
SPLASH splash10-0udi-5923000000-f7cfa7d3014f111c4108
Source of Spectrum AD-0-2532-0
Synonyms 2-(1,3-benzothiazol-2-ylamino)-2-(carbomethoxyamino)-3,3,3-trifluoro-propionic acid methyl ester 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(methoxycarbonylamino)propanoic acid methyl ester Methyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(methoxycarbonylamino)propanoate Methyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-tris(fluoranyl)-2-(methoxycarbonylamino)propanoate
Wiley ID 1425852