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3-[[bis(2-hydroxyethyl)amino]methyl]-2-phenyl-1-benzothiopyran-4-one
SpectraBase Compound ID 7I3nO0jTegd
InChI InChI=1S/C20H21NO3S/c22-12-10-21(11-13-23)14-17-19(24)16-8-4-5-9-18(16)25-20(17)15-6-2-1-3-7-15/h1-9,22-23H,10-14H2
InChIKey HGTAVRQSNBMMBD-UHFFFAOYSA-N
Mol Weight 355.45 g/mol
Molecular Formula C20H21NO3S
Exact Mass 355.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxcCrMxUEZf
Name 3-[[bis(2-hydroxyethyl)amino]methyl]-2-phenyl-1-benzothiopyran-4-one
Alternate Name(s) 3-[[bis(2-hydroxyethyl)amino]methyl]-2-phenyl-thiochromen-4-one
CAS Registry Number 93367-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3S
InChI InChI=1S/C20H21NO3S/c22-12-10-21(11-13-23)14-17-19(24)16-8-4-5-9-18(16)25-20(17)15-6-2-1-3-7-15/h1-9,22-23H,10-14H2
InChIKey HGTAVRQSNBMMBD-UHFFFAOYSA-N
Molecular Weight 355.452 g/mol
SMILES OCCN(CCO)CC1=C(c2ccccc2)Sc2ccccc2C1=O
SPLASH splash10-0udi-0096000000-6abd52cdf5d652384322
Source of Spectrum AJ-57-2324-10
Wiley ID 1345248