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3-((4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl) thio)-4-hydroxy-2H-chromen-2-one
SpectraBase Compound ID K02YaYiMbEZ
InChI InChI=1S/C18H14N4O4S/c1-25-11-8-6-10(7-9-11)16-20-21-18(22(16)19)27-15-14(23)12-4-2-3-5-13(12)26-17(15)24/h2-9,23H,19H2,1H3
InChIKey UWFMSSHBJIYSLZ-UHFFFAOYSA-N
Mol Weight 382.39 g/mol
Molecular Formula C18H14N4O4S
Exact Mass 382.073576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33sKqeU9qq
Name 3-((4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl) thio)-4-hydroxy-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N4O4S
InChI InChI=1S/C18H14N4O4S/c1-25-11-8-6-10(7-9-11)16-20-21-18(22(16)19)27-15-14(23)12-4-2-3-5-13(12)26-17(15)24/h2-9,23H,19H2,1H3
InChIKey UWFMSSHBJIYSLZ-UHFFFAOYSA-N
Instrument Name Agilent technologies HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202200043
Molecular Weight 382.394 g/mol
SMILES N[n]1c(SC2=C(c3c(OC2=O)cccc3)O)nnc1-c1ccc(cc1)OC
SPLASH splash10-0ldi-4900000000-07d2072cf73aa2a98043
Source of Spectrum CBD-19-SM34-8d
Wiley ID 1880587