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(.alpha.)N-(trifluoroacetyl)-(im)N-(ethoxycarbonyl)-5'-deuterio-L-histidine-n-butyl ester
SpectraBase Compound ID 4g7Q7cEG9zm
InChI InChI=1S/C15H20F3N3O5/c1-3-5-6-26-12(22)11(20-13(23)15(16,17)18)7-10-8-21(9-19-10)14(24)25-4-2/h8-9,11H,3-7H2,1-2H3,(H,20,23)/t11-/m0/s1/i8D
InChIKey DXVNECLRQMETGS-ULXGYYHKSA-N
Mol Weight 380.34 g/mol
Molecular Formula C15H192DF3N3O5
Exact Mass 380.141782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9AYOo6NsRW
Name (.alpha.)N-(trifluoroacetyl)-(im)N-(ethoxycarbonyl)-5'-deuterio-L-histidine-n-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19DF3N3O5
InChI InChI=1S/C15H20F3N3O5/c1-3-5-6-26-12(22)11(20-13(23)15(16,17)18)7-10-8-21(9-19-10)14(24)25-4-2/h8-9,11H,3-7H2,1-2H3,(H,20,23)/t11-/m0/s1/i8D
InChIKey DXVNECLRQMETGS-ULXGYYHKSA-N
Molecular Weight 380.342 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](Cc1c([n](C(=O)OCC)cn1)[2D])(C(=O)OCCCC)[H]
SPLASH splash10-003r-5491000000-18d4d4bd2a1ee8922239
Source of Spectrum JC-562-367-2
Wiley ID 1359171