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(Phenyl)[4-hydroxy-3-coumarinyl]-(phenylmercapto)methane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(Phenyl)[4-hydroxy-3-coumarinyl]-(phenylmercapto)methane
SpectraBase Compound ID 1zWLLzcw9qy
InChI InChI=1S/C22H16O3S/c23-20-17-13-7-8-14-18(17)25-22(24)19(20)21(15-9-3-1-4-10-15)26-16-11-5-2-6-12-16/h1-14,21,23H
InChIKey ABRBYCDUGYCXIZ-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C22H16O3S
Exact Mass 360.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYtCzBGEgtV
Name (Phenyl)[4-hydroxy-3-coumarinyl]-(phenylmercapto)methane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.082015546 u
Formula C22H16O3S
InChI InChI=1S/C22H16O3S/c23-20-17-13-7-8-14-18(17)25-22(24)19(20)21(15-9-3-1-4-10-15)26-16-11-5-2-6-12-16/h1-14,21,23H
InChIKey ABRBYCDUGYCXIZ-UHFFFAOYSA-N
Molecular Weight 360.427 g/mol
SMILES C1(=C(C=2C=CC=CC2OC1=O)O)C(SC1=CC=CC=C1)C=1C=CC=CC1