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1-[2-(3-Ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yloxy) acetyl]-3-methyl-1,2-dihydropyrazol-5-one
SpectraBase Compound ID OIjItekgP0
InChI InChI=1S/C18H18N2O5/c1-4-13-11(3)14-6-5-12(8-15(14)25-18(13)23)24-9-17(22)20-16(21)7-10(2)19-20/h5-8,19H,4,9H2,1-3H3
InChIKey SIWJNHVDYWLRJT-UHFFFAOYSA-N
Mol Weight 342.35 g/mol
Molecular Formula C18H18N2O5
Exact Mass 342.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DNQd73ScZa
Name 1-[2-(3-Ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yloxy) acetyl]-3-methyl-1,2-dihydropyrazol-5-one
Alternate Name(s) 2-(2-((3-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O5
InChI InChI=1S/C18H18N2O5/c1-4-13-11(3)14-6-5-12(8-15(14)25-18(13)23)24-9-17(22)20-16(21)7-10(2)19-20/h5-8,19H,4,9H2,1-3H3
InChIKey SIWJNHVDYWLRJT-UHFFFAOYSA-N
Molecular Weight 342.351 g/mol
SMILES N1C(=CC(N1C(=O)COc1cc2c(C(=C(C(O2)=O)CC)C)cc1)=O)C
SPLASH splash10-004l-0193000000-fcc25ed2db804ed61cc1
Source of Spectrum Sohair L. El-Ansary, et al. Bioorganic Chemistry, V. 53, 2014, p. 50-66
Wiley ID 1817616