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3-[azido-(4-methoxyphenyl)methyl]-1-benzothiopyran-4-one
SpectraBase Compound ID a5wmUxayDu
InChI InChI=1S/C17H13N3O2S/c1-22-12-8-6-11(7-9-12)16(19-20-18)14-10-23-15-5-3-2-4-13(15)17(14)21/h2-10,16H,1H3
InChIKey XTFFRAIMBMXNDE-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C17H13N3O2S
Exact Mass 323.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NvsdsbnBTB
Name 3-[azido-(4-methoxyphenyl)methyl]-1-benzothiopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3O2S
InChI InChI=1S/C17H13N3O2S/c1-22-12-8-6-11(7-9-12)16(19-20-18)14-10-23-15-5-3-2-4-13(15)17(14)21/h2-10,16H,1H3
InChIKey XTFFRAIMBMXNDE-UHFFFAOYSA-N
Molecular Weight 323.370 g/mol
SMILES C=1(C(c2ccccc2SC1)=O)C(N=[N+]=[N-])c1ccc(cc1)OC
SPLASH splash10-03di-0920000000-178a92b450bf077c080f
Source of Spectrum KC-57-2902-9
Synonyms 3-[azido-(4-methoxyphenyl)methyl]thiochromen-4-one
Wiley ID 1623712