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2-[(3,4-dimethylphenyl)carbamoylamino]-3,3,3-trifluoro-2-(valerylamino)propionic acid ethyl ester
SpectraBase Compound ID 3m59YZ8OGIm
InChI InChI=1S/C19H26F3N3O4/c1-5-7-8-15(26)24-18(19(20,21)22,16(27)29-6-2)25-17(28)23-14-10-9-12(3)13(4)11-14/h9-11H,5-8H2,1-4H3,(H,24,26)(H2,23,25,28)
InChIKey FIVOXNVHBMHQRP-UHFFFAOYSA-N
Mol Weight 417.43 g/mol
Molecular Formula C19H26F3N3O4
Exact Mass 417.187541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NWfjJRIgtO
Name 2-[(3,4-dimethylphenyl)carbamoylamino]-3,3,3-trifluoro-2-(valerylamino)propionic acid ethyl ester
Alternate Name(s) 2-[[(3,4-dimethylanilino)-oxomethyl]amino]-3,3,3-trifluoro-2-(1-oxopentylamino)propanoic acid ethyl ester Ethyl 2-[(3,4-dimethylphenyl)carbamoylamino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Ethyl 2-[(3,4-dimethylphenyl)carbamoylamino]-3,3,3-tris(fluoranyl)-2-(pentanoylamino)propanoate
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Formula C19H26F3N3O4
InChI InChI=1S/C19H26F3N3O4/c1-5-7-8-15(26)24-18(19(20,21)22,16(27)29-6-2)25-17(28)23-14-10-9-12(3)13(4)11-14/h9-11H,5-8H2,1-4H3,(H,24,26)(H2,23,25,28)
InChIKey FIVOXNVHBMHQRP-UHFFFAOYSA-N
Molecular Weight 417.429 g/mol
SMILES N(c1cc(c(cc1)C)C)C(NC(NC(=O)CCCC)(C(F)(F)F)C(OCC)=O)=O
SPLASH splash10-006t-6900000000-dc6abe2d0136c5b5c583
Wiley ID 1445721