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Acetic acid, trifluoro-, 4-[[4,5-dihydro-4-oxo-1-[[(trifluoroacetyl)amino]acetyl]-2-(trifluoro methyl)-1H-imidazol-5-yl]methyl]phenyl ester, (S)-
SpectraBase Compound ID IiVehl26hFE
InChI InChI=1S/C17H10F9N3O5/c18-15(19,20)12-28-11(31)9(29(12)10(30)6-27-13(32)16(21,22)23)5-7-1-3-8(4-2-7)34-14(33)17(24,25)26/h1-4,9H,5-6H2,(H,27,32)/t9-/m0/s1
InChIKey KXRUCDOFIIUFHW-VIFPVBQESA-N
Mol Weight 507.27 g/mol
Molecular Formula C17H10F9N3O5
Exact Mass 507.047674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sPMEdtiYS
Name Acetic acid, trifluoro-, 4-[[4,5-dihydro-4-oxo-1-[[(trifluoroacetyl)amino]acetyl]-2-(trifluoro methyl)-1H-imidazol-5-yl]methyl]phenyl ester, (S)-
CAS Registry Number 64774-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10F9N3O5
InChI InChI=1S/C17H10F9N3O5/c18-15(19,20)12-28-11(31)9(29(12)10(30)6-27-13(32)16(21,22)23)5-7-1-3-8(4-2-7)34-14(33)17(24,25)26/h1-4,9H,5-6H2,(H,27,32)/t9-/m0/s1
InChIKey KXRUCDOFIIUFHW-VIFPVBQESA-N
Molecular Weight 507.269 g/mol
SMILES N(C(C(F)(F)F)=O)CC(N1C(=NC(=O)[C@@]1(Cc1ccc(OC(C(F)(F)F)=O)cc1)[H])C(F)(F)F)=O
SPLASH splash10-102a-9571030000-83ad1ddd33c54be6f9f2
Source of Spectrum KO-3-242-1
Synonyms 4-{[(5S)-4-oxo-1-{[(trifluoroacetyl)amino]acetyl}-2-(trifluoromethyl)-4,5-dihydro-1H-imidazol-5-yl]methyl}phenyl trifluoroacetate Trifluoroacetyl derivative of gly-tyr-nh2
Wiley ID 1399994