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5-methyl-3-phenyl-4-isoxazolecarboxylic acid
SpectraBase Compound ID 81R8iuo5Bcr
InChI InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKey PENHKTNQUJMHIR-UHFFFAOYSA-N
Mol Weight 203.2 g/mol
Molecular Formula C11H9NO3
Exact Mass 203.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCagfTzLZ2J
Name 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
CAS Registry Number 1136-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO3
InChI InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKey PENHKTNQUJMHIR-UHFFFAOYSA-N
Molecular Weight 203.197 g/mol
SMILES OC(c1c(noc1C)-c1ccccc1)=O
SPLASH splash10-0f6x-9410000000-2c6bb4d992d700ad2d04
Source of Spectrum AD-0-2532-0
Synonyms 3-Phenyl-5-methylisoxazol-4-carbonsaeure 3-Phenyl-5-methylisoxazole-4-carboxylic acid 5-Methyl-3-phenyl-1,2-oxazole-4-carboxylic acid 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid 5-Methyl-3-phenyl-isoxazole-4-carboxylic acid Isoxazole-4-carboxylic acid, 5-methyl-3-phenyl- Pmic acid BRN 0164939 EINECS 214-497-9 NSC 76870
Wiley ID 1418958