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3H-pyrazol-3-one, 4-[2-(3-butyl-5-chloro-2(3H)-benzoxazolylidene)ethylidene]-2,4-dihydro-5-methyl-
SpectraBase Compound ID 5ON5pv52MUb
InChI InChI=1S/C17H18ClN3O2/c1-3-4-9-21-14-10-12(18)5-7-15(14)23-16(21)8-6-13-11(2)19-20-17(13)22/h5-8,10H,3-4,9H2,1-2H3,(H,20,22)/b13-6-,16-8-
InChIKey QINDXUPOAFSOQB-JAHOSLNCSA-N
Mol Weight 331.8 g/mol
Molecular Formula C17H18ClN3O2
Exact Mass 331.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3amF44ePOOW
Name 3H-pyrazol-3-one, 4-[2-(3-butyl-5-chloro-2(3H)-benzoxazolylidene)ethylidene]-2,4-dihydro-5-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18ClN3O2
InChI InChI=1S/C17H18ClN3O2/c1-3-4-9-21-14-10-12(18)5-7-15(14)23-16(21)8-6-13-11(2)19-20-17(13)22/h5-8,10H,3-4,9H2,1-2H3,(H,20,22)/b13-6-,16-8-
InChIKey QINDXUPOAFSOQB-JAHOSLNCSA-N
Molecular Weight 331.803 g/mol
SMILES N1N=C(\C(C1=O)=C/C=C/1N(CCCC)c2c(O1)ccc(Cl)c2)C
SPLASH splash10-06uu-9263000000-6b6ad1b70205dd8f1712
Source of Spectrum JX-2015-3-580
Synonyms 4-(2-(3-butyl-5-chlorobenzo[d]oxazol-2(3H)-ylidene)ethylidene)-3-methyl-1H-pyrazol-5(4H)-one 4-[2-(3-butyl-5-chloro-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-1H-pyrazol-5-one 4-[2-(3-butyl-5-chloranyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-1H-pyrazol-5-one
Wiley ID 1724130