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[(4-Amino-5-cyano-6-phenyl-2-pyrimidinyl)amino]acetic acid
SpectraBase Compound ID 7evIteyU7jB
InChI InChI=1S/C13H11N5O2/c14-6-9-11(8-4-2-1-3-5-8)17-13(18-12(9)15)16-7-10(19)20/h1-5H,7H2,(H,19,20)(H3,15,16,17,18)
InChIKey CWWFUVBTLACGKO-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C13H11N5O2
Exact Mass 269.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ksOBWT2Y92
Name [(4-Amino-5-cyano-6-phenyl-2-pyrimidinyl)amino]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5O2
InChI InChI=1S/C13H11N5O2/c14-6-9-11(8-4-2-1-3-5-8)17-13(18-12(9)15)16-7-10(19)20/h1-5H,7H2,(H,19,20)(H3,15,16,17,18)
InChIKey CWWFUVBTLACGKO-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1100 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2514
SMILES N(c1nc(c(c(n1)N)C#N)-c1ccccc1)CC(O)=O
SPLASH splash10-03di-0690000000-ea4bfd9fa77ad1f10abf
Source of Spectrum Y-53-1967-5c
Wiley ID 1876719