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3-Methyl-1-(2-(4-propyl-2H-1-benzopyran-2-one-7-yloxy)acetyl)-1,2-dihydropyrazol-5-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Methyl-1-(2-(4-propyl-2H-1-benzopyran-2-one-7-yloxy)acetyl)-1,2-dihydropyrazol-5-one
SpectraBase Compound ID 7vTPNKNwG2
InChI InChI=1S/C18H18N2O5/c1-3-4-12-8-18(23)25-15-9-13(5-6-14(12)15)24-10-17(22)20-16(21)7-11(2)19-20/h5-9,19H,3-4,10H2,1-2H3
InChIKey XDRXMIKEUJBWSE-UHFFFAOYSA-N
Mol Weight 342.35 g/mol
Molecular Formula C18H18N2O5
Exact Mass 342.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wDF69q0s6k
Name 3-Methyl-1-(2-(4-propyl-2H-1-benzopyran-2-one-7-yloxy)acetyl)-1,2-dihydropyrazol-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.121571683 u
Formula C18H18N2O5
InChI InChI=1S/C18H18N2O5/c1-3-4-12-8-18(23)25-15-9-13(5-6-14(12)15)24-10-17(22)20-16(21)7-11(2)19-20/h5-9,19H,3-4,10H2,1-2H3
InChIKey XDRXMIKEUJBWSE-UHFFFAOYSA-N
Molecular Weight 342.351 g/mol
SMILES C1(N(NC(=C1)C)C(COC=1C=C2OC(=O)C=C(C2=CC1)CCC)=O)=O