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3-[azido(p-tolyl)methyl]thiochromen-4-one
SpectraBase Compound ID D2Jpcbo7adO
InChI InChI=1S/C17H13N3OS/c1-11-6-8-12(9-7-11)16(19-20-18)14-10-22-15-5-3-2-4-13(15)17(14)21/h2-10,16H,1H3
InChIKey XRUWYGXXQHKEMQ-UHFFFAOYSA-N
Mol Weight 307.37 g/mol
Molecular Formula C17H13N3OS
Exact Mass 307.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxRCvSnjunn
Name 3-[azido(p-tolyl)methyl]thiochromen-4-one
Alternate Name(s) 3-[azido-(4-methylphenyl)methyl]-1-benzothiopyran-4-one 3-[azido-(4-methylphenyl)methyl]thiochromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3OS
InChI InChI=1S/C17H13N3OS/c1-11-6-8-12(9-7-11)16(19-20-18)14-10-22-15-5-3-2-4-13(15)17(14)21/h2-10,16H,1H3
InChIKey XRUWYGXXQHKEMQ-UHFFFAOYSA-N
Molecular Weight 307.371 g/mol
SMILES C=1(C(c2ccccc2SC1)=O)C(N=[N+]=[N-])c1ccc(cc1)C
SPLASH splash10-03di-0910000000-78ad5057d0867742564c
Source of Spectrum KC-57-2902-9
Wiley ID 1623713