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3-(4-Azido-2,3,4,5-tetrafluoroobenzoyl]-6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophene
SpectraBase Compound ID 5guDiq9ay1E
InChI InChI=1S/C21H9F4N3O3S/c22-12-7-11(17(23)19(25)18(12)24)20(31)16-15-13(27-28-26)5-10(30)6-14(15)32-21(16)8-1-3-9(29)4-2-8/h1-7,29-30H
InChIKey VMDVAZKNSDHIBI-UHFFFAOYSA-N
Mol Weight 459.37 g/mol
Molecular Formula C21H9F4N3O3S
Exact Mass 459.030075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG6BoCo2yna
Name 3-(4-Azido-2,3,4,5-tetrafluoroobenzoyl]-6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophene
Alternate Name(s) [4-azido-6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl](2,3,4,5-tetrafluorophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H9F4N3O3S
InChI InChI=1S/C21H9F4N3O3S/c22-12-7-11(17(23)19(25)18(12)24)20(31)16-15-13(27-28-26)5-10(30)6-14(15)32-21(16)8-1-3-9(29)4-2-8/h1-7,29-30H
InChIKey VMDVAZKNSDHIBI-UHFFFAOYSA-N
Molecular Weight 459.375 g/mol
SMILES Oc1cc2c(c(c(-c3ccc(cc3)O)s2)C(c2c(c(F)c(c(c2)F)F)F)=O)c(c1)N=[N+]=[N-]
SPLASH splash10-014i-0190600000-a1d4f069076130f3a7ab
Source of Spectrum J-56-3131-1
Wiley ID 1390175