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4-(2-acetamidoethyl)imidazole
SpectraBase Compound ID KL4P20XUPtf
InChI InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKey XJWPISBUKWZALE-UHFFFAOYSA-N
Mol Weight 153.18 g/mol
Molecular Formula C7H11N3O
Exact Mass 153.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpZAURRFC4A
Name N-omega acetylhistamine, 1TMS
Comments Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 225.13); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001009; Note: The molecular formula of the structure shown is C7H11N3O - which differs from the formula reported for the mass spectrum (C10H19N3OSi)
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Formula C10H19N3OSi
InChI InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKey XJWPISBUKWZALE-UHFFFAOYSA-N
Molecular Weight 153.185 g/mol
SMILES N(CCc1cnc[nH]1)C(C)=O
SPLASH splash10-014i-0900000000-5efbdd77ef99656d7dc7
Source of Spectrum FM-2019-1009-0
Synonyms N-Acetylhistamine, 1TMS Acetylhistamine, 1TMS 2afw, 1TMS N'-Acetylhistamine, 1TMS Nomega-Acetylhistamine, 1TMS N-omega-Acetylhistamine, 1TMS N-[2-(3H-imidazol-4-yl)ethyl]acetamide, 1TMS N-(2-(1H-imidazol-5-yl)ethyl)acetamide
Wiley ID 1818668