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5-amino-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pent-3-ynoic acid ethyl ester
SpectraBase Compound ID GXawuYD4dNn
InChI InChI=1S/C13H20F2N2O4/c1-5-20-10(18)13(9(14)15,7-6-8-16)17-11(19)21-12(2,3)4/h9H,5,8,16H2,1-4H3,(H,17,19)
InChIKey UAERNBULLWKSQU-UHFFFAOYSA-N
Mol Weight 306.31 g/mol
Molecular Formula C13H20F2N2O4
Exact Mass 306.139113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKABUzx4Z2M
Name 5-Amino-2-(difluoromethyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pentynoic acid ethyl ester
Alternate Name(s) 5-Amino-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pent-3-ynoic acid ethyl ester Ethyl 5-amino-2-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-ynoate Ethyl 5-amino-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pent-3-ynoate Ethyl 5-azanyl-2-[bis(fluoranyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-ynoate
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Formula C13H20F2N2O4
InChI InChI=1S/C13H20F2N2O4/c1-5-20-10(18)13(9(14)15,7-6-8-16)17-11(19)21-12(2,3)4/h9H,5,8,16H2,1-4H3,(H,17,19)
InChIKey UAERNBULLWKSQU-UHFFFAOYSA-N
Molecular Weight 306.310 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C#CCN)(C(=O)OCC)C(F)F
SPLASH splash10-0002-0190000000-c0ea7125d3bb4e860e65
Source of Spectrum J-66-132-8
Wiley ID 1534203