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(E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-keto-but-2-enoic acid
SpectraBase Compound ID KNXKgJaqVei
InChI InChI=1S/C12H18N4O3/c1-2-3-4-5-6-9-13-12(16-15-9)14-10(17)7-8-11(18)19/h7-8H,2-6H2,1H3,(H,18,19)(H2,13,14,15,16,17)/b8-7+
InChIKey BDTVKVBBJDHKJQ-BQYQJAHWSA-N
Mol Weight 266.3 g/mol
Molecular Formula C12H18N4O3
Exact Mass 266.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YC8fAHQI3b
Name (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-keto-but-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N4O3
InChI InChI=1S/C12H18N4O3/c1-2-3-4-5-6-9-13-12(16-15-9)14-10(17)7-8-11(18)19/h7-8H,2-6H2,1H3,(H,18,19)(H2,13,14,15,16,17)/b8-7+
InChIKey BDTVKVBBJDHKJQ-BQYQJAHWSA-N
Molecular Weight 266.301 g/mol
SMILES [nH]1nc(nc1CCCCCC)NC(\C=C\C(=O)O)=O
SPLASH splash10-0002-9300000000-26eca8356b8bb548ec6c
Synonyms (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxidanylidene-but-2-enoic acid (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxo-2-butenoic acid (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxo-but-2-enoic acid 4-[(5-Hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxo-2-butenoic acid
Wiley ID 1439296