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3,5-Dimethyl-4-isoxazolecarboxylic acid

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, 2 UV-Vis, and 2 MS (GC)

3,5-Dimethyl-4-isoxazolecarboxylic acid
SpectraBase Compound ID I95RqoOPzCc
InChI InChI=1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)
InChIKey IJEUISLJVBUNRE-UHFFFAOYSA-N
Mol Weight 141.13 g/mol
Molecular Formula C6H7NO3
Exact Mass 141.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFaBXnQvY
Name 3,5-Dimethyl-1,2-oxazole-4-carboxylic acid
Alternate Name(s) 3,5-Dimethyl-4-isoxazolecarboxylic acid 3,5-Dimethylisoxazole-4-carboxylic acid 4-Isoxazolecarboxylic acid, 3,5-dimethyl-
CAS Registry Number 2510-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7NO3
InChI InChI=1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)
InChIKey IJEUISLJVBUNRE-UHFFFAOYSA-N
Molecular Weight 141.126 g/mol
SMILES OC(c1c(C)noc1C)=O
SPLASH splash10-000x-9100000000-ca04d8eca88b19378cab
Source of Spectrum NP-1-1263-0
Wiley ID 1097928