For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Phenylthio-9,10-dimethoxy-1,4-anthraquinone

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

2-Phenylthio-9,10-dimethoxy-1,4-anthraquinone
SpectraBase Compound ID BHM3J2nY3xz
InChI InChI=1S/C22H16O4S/c1-25-21-14-10-6-7-11-15(14)22(26-2)19-18(21)16(23)12-17(20(19)24)27-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKey QLNQVIVZCSLKRO-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C22H16O4S
Exact Mass 376.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7JMIwTEW3t0
Name 2-Phenylthio-9,10-dimethoxy-1,4-anthraquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.076930165 u
Formula C22H16O4S
InChI InChI=1S/C22H16O4S/c1-25-21-14-10-6-7-11-15(14)22(26-2)19-18(21)16(23)12-17(20(19)24)27-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKey QLNQVIVZCSLKRO-UHFFFAOYSA-N
Molecular Weight 376.426 g/mol
SMILES C12=C(C(OC)=C3C(=C2OC)C=CC=C3)C(=O)C(=CC1=O)SC=1C=CC=CC1