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Propanoic acid, 3,3,3-trifluoro-2-pentanoylamino-2-(2-thiazolylamino)-, ethyl ester
SpectraBase Compound ID FRItaMCA9iv
InChI InChI=1S/C13H18F3N3O3S/c1-3-5-6-9(20)18-12(13(14,15)16,10(21)22-4-2)19-11-17-7-8-23-11/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKey XHXMYOURADNFBN-UHFFFAOYSA-N
Mol Weight 353.36 g/mol
Molecular Formula C13H18F3N3O3S
Exact Mass 353.102097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2qeFjnQn4G
Name Propanoic acid, 3,3,3-trifluoro-2-pentanoylamino-2-(2-thiazolylamino)-, ethyl ester
Alternate Name(s) 3,3,3-trifluoro-2-(1-oxopentylamino)-2-(2-thiazolylamino)propanoic acid ethyl ester 3,3,3-trifluoro-2-(thiazol-2-ylamino)-2-(valerylamino)propionic acid ethyl ester 3,3,3-Trifluoro-2-pentanoylamino-2-(thiazol-2-ylamino)-propionic acid ethyl ester Ethyl 3,3,3-trifluoro-2-(pentanoylamino)-2-(1,3-thiazol-2-ylamino)propanoate Ethyl 3,3,3-trifluoro-2-(pentanoylamino)-2-(thiazol-2-ylamino)propanoate Ethyl 3,3,3-tris(fluoranyl)-2-(pentanoylamino)-2-(1,3-thiazol-2-ylamino)propanoate
CAS Registry Number 12-60-2
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Formula C13H18F3N3O3S
InChI InChI=1S/C13H18F3N3O3S/c1-3-5-6-9(20)18-12(13(14,15)16,10(21)22-4-2)19-11-17-7-8-23-11/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKey XHXMYOURADNFBN-UHFFFAOYSA-N
Molecular Weight 353.360 g/mol
SMILES N(C(C(F)(F)F)(NC(=O)CCCC)C(=O)OCC)c1nccs1
SPLASH splash10-0pba-9600000000-0d2b5ac23131df943f83
Wiley ID 1457319