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2-(1-Amino-2,2,2-trifluoroethyl)-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole
SpectraBase Compound ID APETXJ5m8ef
InChI InChI=1S/C13H17F3N2O4/c1-21-9(19)4-3-7-6-18-11(12(17)13(14,15)16)8(7)5-10(20)22-2/h6,12,18H,3-5,17H2,1-2H3
InChIKey NSNXWUQKKOYVES-UHFFFAOYSA-N
Mol Weight 322.28 g/mol
Molecular Formula C13H17F3N2O4
Exact Mass 322.114042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QEB2jhGfsm
Name 2-(1-Amino-2,2,2-trifluoroethyl)-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole
Alternate Name(s) Methyl 3-[5-(1-amino-2,2,2-trifluoroethyl)-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17F3N2O4
InChI InChI=1S/C13H17F3N2O4/c1-21-9(19)4-3-7-6-18-11(12(17)13(14,15)16)8(7)5-10(20)22-2/h6,12,18H,3-5,17H2,1-2H3
InChIKey NSNXWUQKKOYVES-UHFFFAOYSA-N
Molecular Weight 322.284 g/mol
SMILES [nH]1cc(c(c1C(C(F)(F)F)N)CC(=O)OC)CCC(=O)OC
SPLASH splash10-0fe0-0093000000-dc7ecca0a9453b27d4d1
Source of Spectrum F-48-4708-35
Wiley ID 1321323