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2-(p-Methoxybenzyl)-1,2,4-triazole-3,5-dial
SpectraBase Compound ID I6TTPE1yzQm
InChI InChI=1S/C12H11N3O3/c1-18-10-4-2-9(3-5-10)6-15-12(8-17)13-11(7-16)14-15/h2-5,7-8H,6H2,1H3
InChIKey GNUWQZVOBLEZPR-UHFFFAOYSA-N
Mol Weight 245.24 g/mol
Molecular Formula C12H11N3O3
Exact Mass 245.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1xaZqXzfk7
Name 2-(p-Methoxybenzyl)-1,2,4-triazole-3,5-dial
Alternate Name(s) 1-(4-Methoxybenzyl)-1H-1,2,4-triazole-3,5-dicarbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c1-18-10-4-2-9(3-5-10)6-15-12(8-17)13-11(7-16)14-15/h2-5,7-8H,6H2,1H3
InChIKey GNUWQZVOBLEZPR-UHFFFAOYSA-N
Molecular Weight 245.238 g/mol
SMILES c1(nc(n[n]1Cc1ccc(cc1)OC)C=O)C=O
SPLASH splash10-00dj-0790000000-f137cc9b94b1b8687801
Source of Spectrum AT-39-1070-5
Wiley ID 854133