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N,N'-Di(trifluoroacetyl)histamine
SpectraBase Compound ID Lb4RRFBzp2X
InChI InChI=1S/C9H7F6N3O2/c10-8(11,12)6(19)17-2-1-5-3-16-4-18(5)7(20)9(13,14)15/h3-4H,1-2H2,(H,17,19)
InChIKey CBGZKJOWTZSEAY-UHFFFAOYSA-N
Mol Weight 303.16 g/mol
Molecular Formula C9H7F6N3O2
Exact Mass 303.044245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mL0UWbCeau
Name N,N'-Di(trifluoroacetyl)histamine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 303.044245453 u
Formula C9H7F6N3O2
InChI InChI=1S/C9H7F6N3O2/c10-8(11,12)6(19)17-2-1-5-3-16-4-18(5)7(20)9(13,14)15/h3-4H,1-2H2,(H,17,19)
InChIKey CBGZKJOWTZSEAY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.164 g/mol
Nominal Mass 303 u
Quality 960
Retention Index 2303
SMILES C(N1C(CCNC(C(F)(F)F)=O)=CN=C1)(C(F)(F)F)=O
SPLASH splash10-0006-6900000000-a44845a17e4db3cbf957
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trifluoro-N-(2-(1-(trifluoroacetyl)-1H-imidazol-5-yl)ethyl)acetamide
Technique GC/MS
Wiley ID DD2024_027586