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(4-azidophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone
SpectraBase Compound ID D1qlFbdUNLR
InChI InChI=1S/C21H13N3O3S/c22-24-23-14-5-1-12(2-6-14)20(27)19-17-10-9-16(26)11-18(17)28-21(19)13-3-7-15(25)8-4-13/h1-11,25-26H
InChIKey XBMPLXNNPNMNRV-UHFFFAOYSA-N
Mol Weight 387.41 g/mol
Molecular Formula C21H13N3O3S
Exact Mass 387.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7342rhedc6S
Name (4-azidophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone
Alternate Name(s) (4-azidophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone (4-azidophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methanone
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Formula C21H13N3O3S
InChI InChI=1S/C21H13N3O3S/c22-24-23-14-5-1-12(2-6-14)20(27)19-17-10-9-16(26)11-18(17)28-21(19)13-3-7-15(25)8-4-13/h1-11,25-26H
InChIKey XBMPLXNNPNMNRV-UHFFFAOYSA-N
Molecular Weight 387.413 g/mol
SMILES Oc1cc2c(c(c(-c3ccc(cc3)O)s2)C(c2ccc(N=[N+]=[N-])cc2)=O)cc1
SPLASH splash10-02h0-0349000000-21850d830b54da317912
Source of Spectrum J-56-3131-2
Wiley ID 1363381