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DL-N-(trifluoroacetyl)aspartic acid
SpectraBase Compound ID 3Lb5GBWpaXz
InChI InChI=1S/C6H6F3NO5/c7-6(8,9)5(15)10-2(4(13)14)1-3(11)12/h2H,1H2,(H,10,15)(H,11,12)(H,13,14)
InChIKey NTFULCXLYCSQIW-UHFFFAOYSA-N
Mol Weight 229.11 g/mol
Molecular Formula C6H6F3NO5
Exact Mass 229.019807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qe4sUGXi46
Name N-(Trifluoroacetyl)aspartic acid
Alternate Name(s) N-(Trifluoroacetyl)-dl-aspartic acid 2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanedioic acid 2-[(2,2,2-trifluoroacetyl)amino]butanedioic acid 2-[2,2,2-tris(fluoranyl)ethanoylamino]butanedioic acid
CAS Registry Number 200876-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6F3NO5
InChI InChI=1S/C6H6F3NO5/c7-6(8,9)5(15)10-2(4(13)14)1-3(11)12/h2H,1H2,(H,10,15)(H,11,12)(H,13,14)
InChIKey NTFULCXLYCSQIW-UHFFFAOYSA-N
Molecular Weight 229.111 g/mol
SMILES OC(CC(C(O)=O)NC(C(F)(F)F)=O)=O
SPLASH splash10-00su-9800000000-683171e42e4f6b793fc1
Source of Spectrum NP-5-8422-0
Wiley ID 1105207