For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Amino-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester
SpectraBase Compound ID HxvixZw6w8Z
InChI InChI=1S/C12H17F3N2O4/c1-10(2,3)21-9(19)17-11(6-5-7-16,8(18)20-4)12(13,14)15/h7,16H2,1-4H3,(H,17,19)
InChIKey WJCXZVRAGVMJJZ-UHFFFAOYSA-N
Mol Weight 310.27 g/mol
Molecular Formula C12H17F3N2O4
Exact Mass 310.114042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IFrlWbC4XEG
Name 5-Amino-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester
Alternate Name(s) 5-Amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(trifluoromethyl)-3-pentynoic acid methyl ester Methyl 5-amino-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoate Methyl 5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-3-ynoate Methyl 5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-3-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17F3N2O4
InChI InChI=1S/C12H17F3N2O4/c1-10(2,3)21-9(19)17-11(6-5-7-16,8(18)20-4)12(13,14)15/h7,16H2,1-4H3,(H,17,19)
InChIKey WJCXZVRAGVMJJZ-UHFFFAOYSA-N
Molecular Weight 310.273 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C#CCN)(C(F)(F)F)C(=O)OC
SPLASH splash10-0udi-0090000000-c4d01f74123eb0ef086f
Source of Spectrum J-66-132-8
Wiley ID 1534204