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1H-Pyrazole-1-acetic acid, 3,5-dimethyl-4-[[2-(2-methylphenoxy)acetyl]amino]-, ethyl ester
SpectraBase Compound ID LvuVaL7BVZ2
InChI InChI=1S/C18H23N3O4/c1-5-24-17(23)10-21-14(4)18(13(3)20-21)19-16(22)11-25-15-9-7-6-8-12(15)2/h6-9H,5,10-11H2,1-4H3,(H,19,22)
InChIKey JLYKWKWOPNDCFX-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C18H23N3O4
Exact Mass 345.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7U19BYFNImw
Name 1H-Pyrazole-1-acetic acid, 3,5-dimethyl-4-[[2-(2-methylphenoxy)acetyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.168856229 u
Formula C18H23N3O4
InChI InChI=1S/C18H23N3O4/c1-5-24-17(23)10-21-14(4)18(13(3)20-21)19-16(22)11-25-15-9-7-6-8-12(15)2/h6-9H,5,10-11H2,1-4H3,(H,19,22)
InChIKey JLYKWKWOPNDCFX-UHFFFAOYSA-N
Molecular Weight 345.399 g/mol
SMILES C=1C=CC(=C(OCC(NC2=C(N(N=C2C)CC(=O)OCC)C)=O)C1)C