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4-benzamido-3-cyano-6-triazolo[1,5-a]pyrazinecarboxylic acid methyl ester
SpectraBase Compound ID ItZ56foACvM
InChI InChI=1S/C15H10N6O3/c1-24-15(23)11-8-21-12(10(7-16)19-20-21)13(17-11)18-14(22)9-5-3-2-4-6-9/h2-6,8H,1H3,(H,17,18,22)
InChIKey QTFHOFWEYRASBE-UHFFFAOYSA-N
Mol Weight 322.28 g/mol
Molecular Formula C15H10N6O3
Exact Mass 322.081438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cJDuUsAz0U
Name 4-benzamido-3-cyano-6-triazolo[1,5-a]pyrazinecarboxylic acid methyl ester
Alternate Name(s) 4-benzamido-3-cyano-triazolo[1,5-a]pyrazine-6-carboxylic acid methyl ester methyl 4-benzamido-3-cyano-triazolo[1,5-a]pyrazine-6-carboxylate methyl 4-benzamido-3-cyano-[1,2,3]triazolo[1,5-a]pyrazine-6-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10N6O3
InChI InChI=1S/C15H10N6O3/c1-24-15(23)11-8-21-12(10(7-16)19-20-21)13(17-11)18-14(22)9-5-3-2-4-6-9/h2-6,8H,1H3,(H,17,18,22)
InChIKey QTFHOFWEYRASBE-UHFFFAOYSA-N
Molecular Weight 322.284 g/mol
SMILES N(C=1c2[n](nnc2C#N)C=C(N1)C(=O)OC)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-07c400b1c05d996ed562
Source of Spectrum O1-56-358-7
Wiley ID 1591709