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3H-pyrazol-3-one, 4-[2-(5-chloro-3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-2-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-2,4-dihydro-5-methyl-
SpectraBase Compound ID 3wluTUScG0G
InChI InChI=1S/C23H18ClN3O4/c1-3-26-19-11-15(24)4-8-20(19)31-21(26)9-7-17-13(2)25-27(22(17)28)16-5-6-18-14(10-16)12-30-23(18)29/h4-11H,3,12H2,1-2H3/b17-7+,21-9-
InChIKey ZTRNVOWCAGRRQR-ZWUKPVQFSA-N
Mol Weight 435.87 g/mol
Molecular Formula C23H18ClN3O4
Exact Mass 435.098584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWC1aRVLHDh
Name 3H-pyrazol-3-one, 4-[2-(5-chloro-3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-2-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-2,4-dihydro-5-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18ClN3O4
InChI InChI=1S/C23H18ClN3O4/c1-3-26-19-11-15(24)4-8-20(19)31-21(26)9-7-17-13(2)25-27(22(17)28)16-5-6-18-14(10-16)12-30-23(18)29/h4-11H,3,12H2,1-2H3/b17-7+,21-9-
InChIKey ZTRNVOWCAGRRQR-ZWUKPVQFSA-N
Molecular Weight 435.867 g/mol
SMILES CCN1\C(Oc2ccc(Cl)cc12)=C\C=C/1C(=NN(C1=O)c1ccc2C(=O)OCc2c1)C
SPLASH splash10-000i-2130900000-49ac8cef605ed0207a37
Source of Spectrum JX-2015-4-437
Synonyms 4-(2-(5-chloro-3-ethylbenzo[d]oxazol-2(3H)-ylidene)ethylidene)-3-methyl-1-(1-oxo-1,3-dihydroisobenzofuran-5-yl)-1H-pyrazol-5(4H)-one 4-[2-(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-5-methyl-2-(1-oxo-3H-isobenzofuran-5-yl)-3-pyrazolone 4-[2-(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-5-methyl-2-(1-oxo-3H-2-benzofuran-5-yl)pyrazol-3-one 4-[2-(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-5-methyl-2-(1-oxo-3H-isobenzofuran-5-yl)pyrazol-3-one 4-[2-(5-chloranyl-3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-5-methyl-2-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrazol-3-one
Wiley ID 1725877