2-[2'-(1"-<Butoxycarbonyl>pyrrolidin-2"-ylcarbonylamino)-1'-(trifluoromethyl)ethylamino]-4-methyl-N,N-dimethylpentanamide - Optional[13C NMR] - Chemical Shifts

SpectraBase Compound ID	K1bcn5U3Sb
InChI	InChI=1S/C21H37F3N4O4/c1-13(2)11-14(18(30)27(6)7)26-16(21(22,23)24)12-25-17(29)15-9-8-10-28(15)19(31)32-20(3,4)5/h13-16,26H,8-12H2,1-7H3,(H,25,29)
InChIKey	KHQMQBSZWMWDIR-UHFFFAOYSA-N Google Search
Mol Weight	466.5 g/mol
Molecular Formula	C21H37F3N4O4
Exact Mass	466.27669 g/mol

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SpectraBase Spectrum ID	EClCsoxeCar
Name	2-[2'-(1''-pyrrolidin-2''-ylcarbonylamino)-1'-(trifluoromethyl)ethylamino]-4-methyl-N,N-dimethylpentanamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	466.276690172 u
Formula	C21H37F3N4O4
InChI	InChI=1S/C21H37F3N4O4/c1-13(2)11-14(18(30)27(6)7)26-16(21(22,23)24)12-25-17(29)15-9-8-10-28(15)19(31)32-20(3,4)5/h13-16,26H,8-12H2,1-7H3,(H,25,29)
InChIKey	KHQMQBSZWMWDIR-UHFFFAOYSA-N
Molecular Weight	466.546 g/mol
SMILES	C(N1C(C(NCC(C(F)(F)F)NC(C(N(C)C)=O)CC(C)C)=O)CCC1)(OC(C)(C)C)=O