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4-(4-Acetoxybenzylidene)-2-(4-chloro-3-nitrophenyl)-4,5-dihydro-5-oxazolone
SpectraBase Compound ID A996E0r0mGu
InChI InChI=1S/C18H11ClN2O6/c1-10(22)26-13-5-2-11(3-6-13)8-15-18(23)27-17(20-15)12-4-7-14(19)16(9-12)21(24)25/h2-9H,1H3/b15-8+
InChIKey GIMUXWGWJUVOTQ-OVCLIPMQSA-N
Mol Weight 386.75 g/mol
Molecular Formula C18H11ClN2O6
Exact Mass 386.030564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfYNBgL3cMz
Name 4-(4-Acetoxybenzylidene)-2-(4-chloro-3-nitrophenyl)-4,5-dihydro-5-oxazolone
CAS Registry Number 313971-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11ClN2O6
InChI InChI=1S/C18H11ClN2O6/c1-10(22)26-13-5-2-11(3-6-13)8-15-18(23)27-17(20-15)12-4-7-14(19)16(9-12)21(24)25/h2-9H,1H3/b15-8+
InChIKey GIMUXWGWJUVOTQ-OVCLIPMQSA-N
Molecular Weight 386.747 g/mol
SMILES C1(\C(N=C(O1)c1cc(c(cc1)Cl)N(=O)=O)=C/c1ccc(cc1)OC(=O)C)=O
SPLASH splash10-000x-9800000000-0981753dc36cd7d8c8ab
Synonyms 4-[(E)-(2-(4-Chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate Acetic acid [4-[(E)-[2-(4-chloro-3-nitrophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester [4-[(E)-[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate [4-[(E)-[2-(4-chloro-3-nitro-phenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] acetate [4-[(E)-[2-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] ethanoate
Wiley ID 1470506