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4-Hydroxy-3-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl) thio)-2H-chromen-2-one
SpectraBase Compound ID 5G2X6BvISEw
InChI InChI=1S/C18H12N2O4S/c1-10-6-8-11(9-7-10)16-19-20-18(24-16)25-15-14(21)12-4-2-3-5-13(12)23-17(15)22/h2-9,21H,1H3
InChIKey VPQKZOBSXYJHBL-UHFFFAOYSA-N
Mol Weight 352.36 g/mol
Molecular Formula C18H12N2O4S
Exact Mass 352.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOFDoASPz5J
Name 4-Hydroxy-3-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl) thio)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N2O4S
InChI InChI=1S/C18H12N2O4S/c1-10-6-8-11(9-7-10)16-19-20-18(24-16)25-15-14(21)12-4-2-3-5-13(12)23-17(15)22/h2-9,21H,1H3
InChIKey VPQKZOBSXYJHBL-UHFFFAOYSA-N
Instrument Name Agilent technologies HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202200043
Molecular Weight 352.364 g/mol
SMILES OC1=C(C(Oc2c1cccc2)=O)Sc1oc(nn1)-c1ccc(cc1)C
SPLASH splash10-0abc-3903000000-fd9db165dd78d0273a95
Source of Spectrum CBD-19-SM31-7c
Wiley ID 1880578