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(2-Methyl-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)acetic Acid
SpectraBase Compound ID Kl3oDLgDHYS
InChI InChI=1S/C16H17N3O3/c1-9-3-5-11(6-4-9)14-10(2)18-19-8-12(7-13(20)21)16(22)17-15(14)19/h3-6,12H,7-8H2,1-2H3,(H,17,22)(H,20,21)
InChIKey RFYTUEOHUKLXAI-UHFFFAOYSA-N
Mol Weight 299.33 g/mol
Molecular Formula C16H17N3O3
Exact Mass 299.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zCAMQQMCDo
Name (2-Methyl-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)acetic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O3
InChI InChI=1S/C16H17N3O3/c1-9-3-5-11(6-4-9)14-10(2)18-19-8-12(7-13(20)21)16(22)17-15(14)19/h3-6,12H,7-8H2,1-2H3,(H,17,22)(H,20,21)
InChIKey RFYTUEOHUKLXAI-UHFFFAOYSA-N
Molecular Weight 299.330 g/mol
SMILES N1C(C(CC(=O)O)C[n]2c1c(c(C)n2)-c1ccc(cc1)C)=O
SPLASH splash10-0zgj-3290000000-b9d3d40e02af896eaa20
Source of Spectrum HC-49-998-3c
Synonyms (2-R-Methyl-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)acetic Acid 2-(2-Methyl-5-oxo-3-(p-tolyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
Wiley ID 1739463