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(2-R-trifluoromethyl-3-(methoxyphenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)acetic Acid
SpectraBase Compound ID GKC72mEGBzz
InChI InChI=1S/C16H14F3N3O4/c1-26-10-4-2-8(3-5-10)12-13(16(17,18)19)21-22-7-9(6-11(23)24)15(25)20-14(12)22/h2-5,9H,6-7H2,1H3,(H,20,25)(H,23,24)
InChIKey KJAURKOEJBAFLD-UHFFFAOYSA-N
Mol Weight 369.3 g/mol
Molecular Formula C16H14F3N3O4
Exact Mass 369.09364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KgHx2Ifw6d
Name (2-R-trifluoromethyl-3-(methoxyphenyl)-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 C16H14F3N3O4
InChI InChI=1S/C16H14F3N3O4/c1-26-10-4-2-8(3-5-10)12-13(16(17,18)19)21-22-7-9(6-11(23)24)15(25)20-14(12)22/h2-5,9H,6-7H2,1H3,(H,20,25)(H,23,24)
InChIKey KJAURKOEJBAFLD-UHFFFAOYSA-N
Molecular Weight 369.300 g/mol
SMILES N1C(C(CC(=O)O)C[n]2c1c(c(C(F)(F)F)n2)-c1ccc(cc1)OC)=O
SPLASH splash10-0a4l-9540000000-6bd10d2aeb32c690847f
Source of Spectrum HC-49-998-3e
Synonyms (2-trifluoromethyl-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)acetic Acid 2-(3-(4-methoxyphenyl)-5-oxo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
Wiley ID 1739461