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3-(p-Ethoxyphenyl)-4-[5-(2-chlorophenyl)-.delta.(2)-1,2,4-oxadiazolin-3-yl]sydnone
SpectraBase Compound ID KtkQ8N57TcB
InChI InChI=1S/C18H15ClN4O4/c1-2-25-12-9-7-11(8-10-12)23-15(18(24)27-22-23)16-20-17(26-21-16)13-5-3-4-6-14(13)19/h3-10,17H,2H2,1H3,(H-,20,21,22,24)
InChIKey LNVHNUMEVAFWMI-UHFFFAOYSA-N
Mol Weight 386.8 g/mol
Molecular Formula C18H15ClN4O4
Exact Mass 386.078183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KM1CJbvTSxF
Name 3-(p-Ethoxyphenyl)-4-[5-(2-chlorophenyl)-.delta.(2)-1,2,4-oxadiazolin-3-yl]sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClN4O4
InChI InChI=1S/C18H15ClN4O4/c1-2-25-12-9-7-11(8-10-12)23-15(18(24)27-22-23)16-20-17(26-21-16)13-5-3-4-6-14(13)19/h3-10,17H,2H2,1H3,(H-,20,21,22,24)
InChIKey LNVHNUMEVAFWMI-UHFFFAOYSA-N
Molecular Weight 386.795 g/mol
SMILES N1C(ON=C1c1[n+](noc1[O-])-c1ccc(cc1)OCC)c1c(Cl)cccc1
SPLASH splash10-004i-0009000000-5ff4d7ae0db6be1d19da
Source of Spectrum QA-33-67-5
Wiley ID 861068