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3-(p-Ethyloxyphenyl)-4-[4'-trifluoromethyl-5'-(thien-2-ylcarbonyl)oxazol-3'-yl]sydnone
SpectraBase Compound ID 9VYdbobYARA
InChI InChI=1S/C19H12F3N3O5S/c1-2-28-11-7-5-10(6-8-11)25-15(18(27)30-24-25)14-13(19(20,21)22)17(29-23-14)16(26)12-4-3-9-31-12/h3-9H,2H2,1H3
InChIKey NBLKFFRKYFNMPQ-UHFFFAOYSA-N
Mol Weight 451.38 g/mol
Molecular Formula C19H12F3N3O5S
Exact Mass 451.044976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRtEgBQwxiq
Name 3-(p-Ethyloxyphenyl)-4-[4'-trifluoromethyl-5'-(thien-2-ylcarbonyl)oxazol-3'-yl]sydnone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12F3N3O5S
InChI InChI=1S/C19H12F3N3O5S/c1-2-28-11-7-5-10(6-8-11)25-15(18(27)30-24-25)14-13(19(20,21)22)17(29-23-14)16(26)12-4-3-9-31-12/h3-9H,2H2,1H3
InChIKey NBLKFFRKYFNMPQ-UHFFFAOYSA-N
Molecular Weight 451.376 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)OCC)-c1c(c(C(c2sccc2)=O)on1)C(F)(F)F
SPLASH splash10-0006-0009000000-403ed1068205f0642e3e
Source of Spectrum QA-37-75-5
Wiley ID 861142