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(2S,3R)-3-methyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanedioic acid O5-methyl ester O1-propan-2-yl ester
SpectraBase Compound ID E9BUr9j0iyf
InChI InChI=1S/C12H18F3NO5/c1-6(2)21-10(18)9(7(3)5-8(17)20-4)16-11(19)12(13,14)15/h6-7,9H,5H2,1-4H3,(H,16,19)/t7-,9+/m1/s1
InChIKey UHKOCNXMHMYCCL-APPZFPTMSA-N
Mol Weight 313.27 g/mol
Molecular Formula C12H18F3NO5
Exact Mass 313.113707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TJiPYTG3GB
Name (2S,3R)-3-methyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanedioic acid O5-methyl ester O1-propan-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18F3NO5
InChI InChI=1S/C12H18F3NO5/c1-6(2)21-10(18)9(7(3)5-8(17)20-4)16-11(19)12(13,14)15/h6-7,9H,5H2,1-4H3,(H,16,19)/t7-,9+/m1/s1
InChIKey UHKOCNXMHMYCCL-APPZFPTMSA-N
Molecular Weight 313.273 g/mol
SMILES N(C(C(F)(F)F)=O)[C@](C(OC(C)C)=O)([C@@](CC(=O)OC)(C)[H])[H]
SPLASH splash10-00kf-5940000000-1d62ea025a44dacfca69
Source of Spectrum KC-0-2528-10
Synonyms (2S,3R)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]glutaric acid O1-isopropyl ester O5-methyl ester 5-O-methyl 1-O-propan-2-yl (2S,3R)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanedioate O1-isopropyl O5-methyl (2S,3R)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanedioate O5-methyl O1-propan-2-yl (2S,3R)-3-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanedioate
Wiley ID 782181